D-Glutamic acid
Athanor · official
C5H9NO4 · 147.13 g/mol
IUPAC name: (2R)-2-aminopentanedioic acid
Also called D-glutamate, peptidoglycan
WarningCauses skin irritation · Causes serious eye irritation · May cause respiratory irritationNames and identifiers
- IUPAC name
- (2R)-2-aminopentanedioic acid
- Synonyms
- D-glutamate, peptidoglycan, (2R)-2-aminopentanedioic acid
+ 36 more
D-Glu, D-Glutaminic acid, D-2-Aminoglutaric acid, DTXSID1048675, Q479989WEA, DTXCID1028601, CHEBI:15966, NSC-77686, (-)-Glutamic acid, D Glutamate, glutamic acid d-, RefChem:583854, (2R)-2-azaniumyl-5-hydroxy-5-oxopentanoate, 230-000-8, H-D-Glu-OH, (R)-2-aminopentanedioic acid, Glutamic acid D-form, D-2-Aminopentanedioic acid, MFCD00063112, D-(-)-Glutamic acid, R-(-)-Glutamic acid, D-Glutaminsaeure, delta-Glutaminate, (r)-1-aminopropane-1,3-dicarboxylic acid, Tocris-0217, Lopac-G-2128, (2R)-2-aminopentanedioate, CHEMBL76232, DGL, CHEBI:53375, GLUTAMIC ACID D-FORM [MI], D-Glutamic acid, >=99% (TLC), glutamate, Glutamic acid, D-, PDSP2_001470, L(+)-Glutamic acid
- Molecular formula
- C5H9NO4
- Empirical formula
- C5H9NO4
- Molecular weight
- 147.13 g/mol
- Exact mass
- 147.05316
- CAS number
- 6893-26-1
- PubChem CID
- 23327
- Canonical SMILES
- C(CC(=O)O)C(C(=O)O)N
- Isomeric SMILES
- C(CC(=O)O)[C@H](C(=O)O)N
- InChI
- InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1
- InChIKey
- WHUUTDBJXJRKMK-GSVOUGTGSA-N
- Molfile
Names, InChI and the identifiers from PubChem, retrieved 2026-10-14.
Calculated
- Heavy atoms
- 10
- Rings
- 0
- Aromatic rings
- 0
- Fraction sp³ carbons (Fsp3)
- 0.6
- H-bond donors
- 3
- H-bond acceptors
- 3 computed here · PubChem 5
- Rotatable bonds
- 4
- TPSA (Ų)
- 100.6 computed here · PubChem 101
- Formal charge
- 0
- XLogP3
- -3.7 PubChem
- Complexity
- 145 PubChem
- Stereocenters
- 1 definedCIP: C2: R
- Double-bond geometry
- None specified
- Point group
- C1 of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)
Elemental analysis
- C40.82%
- H6.17%
- N9.52%
- O43.50%
Isotope pattern
Each peak is a nominal mass with its abundance-weighted exact mass, as a percentage of the tallest, from IUPAC natural isotope abundances.
Computed from the structure with RDKit 2026.09 when this page was built, beside PubChem's own computed values from its record; where the two differ, both are shown.
Predicted
- log P
- -0.74 Crippen (Wildman and Crippen 1999)
- log S (water solubility)
- -0.02 ESOL (Delaney 2004), log mol/L
- Synthetic accessibility
- 2.32 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)
Drug-likeness: Lipinski’s rule of five
- Molecular weight ≤ 500: 147.13
- log P ≤ 5 (Crippen): -0.74
- H-bond donors ≤ 5: 3
- H-bond acceptors ≤ 10: 3
Passes all four rules.
¹³C NMR shifts, predicted
Predictions, not measurements; each names its method. A measured log P, where a source reports one, is under Physical properties.
Safety
Warning
Most widely reported: 6 company reports to ECHA. Source [1].
- Harmful or irritant
- H315Causes skin irritation (16.7% of reports)
- H319Causes serious eye irritation (16.7% of reports)
- H335May cause respiratory irritation (16.7% of reports)
Precautionary statements: P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
View all classifications (2)
- [1] European Chemicals Agency (ECHA)This chemical does not meet GHS hazard criteria for 83.3% (5 of 6) of all reports.
- [1] European Chemicals Agency (ECHA) · 6 reports · WarningH315, H319, H335
Safety data sheets on the supplier’s page: Biorbyt, Enamine, Activate Scientific.
Always read the supplier’s safety data sheet before working with it.
Spectra
- NMRNMRShiftDB
- 1H NMRSpectraBase (Varian CFT-20)
- 13C NMRSpectraBase (Bruker WP-80)
- GC-MSNIST Mass Spectrometry Data Center · NIST Mass Spectrometry Data Center
- MS-MSHuman Metabolome Database (HMDB) (LC-ESI-QQ · negative) · Human Metabolome Database (HMDB) (LC-ESI-QQ · negative) · Human Metabolome Database (HMDB) (LC-ESI-QQ · negative) · Human Metabolome Database (HMDB) (LC-ESI-QQ · negative) · Human Metabolome Database (HMDB) (LC-ESI-QQ · negative) · Human Metabolome Database (HMDB) (LC-ESI-QQ · positive)
- LC-MSMassBank Europe (API3000, Applied Biosystems · LC-ESI-QQ · NEGATIVE) · MassBank Europe (API3000, Applied Biosystems · LC-ESI-QQ · NEGATIVE) · MassBank Europe (API3000, Applied Biosystems · LC-ESI-QQ · NEGATIVE) · MassBank Europe (API3000, Applied Biosystems · LC-ESI-QQ · NEGATIVE) · MassBank Europe (API3000, Applied Biosystems · LC-ESI-QQ · NEGATIVE) · MassBank Europe (API3000, Applied Biosystems · LC-ESI-QQ · POSITIVE)
- Other MSMassBank of North America (MoNA) (ESI-QTOF · ESI · positive) · MassBank of North America (MoNA) (ESI-QTOF · ESI · positive) · MassBank of North America (MoNA) (ESI-QTOF · ESI · positive)
- FTIRSpectraBase (KBr WAFER)
- ATR-IRSpectraBase (Bio-Rad FTS · ATR-Neat (DuraSamplIR II) ground)
- RamanSpectraBase (Bruker MultiRAM Stand Alone FT-Raman Spectrometer)
Experimental spectra held by these sources; each link opens the source's own record.
Literature
Reading PubChem, OpenAlex and GSRS…
Bioactivity
Reading ChEMBL…
References
- [1]European Chemicals Agency (ECHA) · ECHA legal notice: reuse with acknowledgement · via PubChem · retrieved 2026-10-14
- [2]NMRShiftDB · Linked only · via PubChem · retrieved 2026-10-14
- [3]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
- [4]NIST Mass Spectrometry Data Center · Linked only · via PubChem · retrieved 2026-10-14
- [5]Human Metabolome Database (HMDB) · Linked only · via PubChem · retrieved 2026-10-14
- [6]MassBank Europe · Linked only · via PubChem · retrieved 2026-10-14
- [7]MassBank of North America (MoNA) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
- ·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
- ·Literature on PubChem
Data last updated 2026-10-14.