D-Serine
Athanor · official
C3H7NO3 · 105.09 g/mol
IUPAC name: (2R)-2-amino-3-hydroxypropanoic acid
Also called NMDA co-agonist
WarningCauses skin irritation · Causes serious eye irritation · May cause respiratory irritationNames and identifiers
- IUPAC name
- (2R)-2-amino-3-hydroxypropanoic acid
- Synonyms
- NMDA co-agonist, (R)-Serine, (R)-2-amino-3-hydroxypropanoic acid
+ 36 more
(2R)-2-amino-3-hydroxypropanoic acid, Serine D-form, Serine, D-, D-Serin, DTXSID9041021, EINECS 206-229-4, NSC 77689, AI3-18476, 1K77H2Z9B1, (D)-SERINE, SERINE D-FORM [MI], DTXCID7021021, CHEBI:16523, NSC77689, NSC-77689, (R)-2-Amino-3-hydroxy-propionic acid, (2R)-2-azaniumyl-3-hydroxypropanoate, RefChem:585037, 206-229-4, H-D-Ser-OH, MFCD00004269, D-2-Amino-3-hydroxypropionic Acid, D-Ser, CHEMBL285123, CS-D1751, DSN, NCGC00094363-03, NCGC00094363-07, NCGC00094363-10, C00740, d-(+)-serine, (2R)-2-amino-3-hydroxypropanoate, (2R)-2-amino-3-hydroxy-propanoic acid, UNII-1K77H2Z9B1, s6224, D-Serine; Serine, D- (8CI); (R)-2-Amino-3-hydroxypropanoic acid; (R)-Serine; NSC 77689
- Molecular formula
- C3H7NO3
- Empirical formula
- C3H7NO3
- Molecular weight
- 105.09 g/mol
- Exact mass
- 105.04259
- CAS number
- 312-84-5
- PubChem CID
- 71077
- Canonical SMILES
- C(C(C(=O)O)N)O
- Isomeric SMILES
- C([C@H](C(=O)O)N)O
- InChI
- InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m1/s1
- InChIKey
- MTCFGRXMJLQNBG-UWTATZPHSA-N
- Molfile
Names, InChI and the identifiers from PubChem, retrieved 2026-10-14.
Calculated
- Heavy atoms
- 7
- Rings
- 0
- Aromatic rings
- 0
- Fraction sp³ carbons (Fsp3)
- 0.67
- H-bond donors
- 3
- H-bond acceptors
- 3 computed here · PubChem 4
- Rotatable bonds
- 2
- TPSA (Ų)
- 83.5 computed here · PubChem 83.6
- Formal charge
- 0
- XLogP3
- -3.1 PubChem
- Complexity
- 72 PubChem
- Stereocenters
- 1 definedCIP: C3: 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
- C34.29%
- H6.71%
- N13.33%
- O45.67%
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
- -1.61 Crippen (Wildman and Crippen 1999)
- log S (water solubility)
- 0.65 ESOL (Delaney 2004), log mol/L
- Synthetic accessibility
- 2.63 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)
Drug-likeness: Lipinski’s rule of five
- Molecular weight ≤ 500: 105.09
- log P ≤ 5 (Crippen): -1.61
- 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: 20 company reports to ECHA. Source [1].
- Harmful or irritant
- H315Causes skin irritation (10% of reports)
- H319Causes serious eye irritation (10% of reports)
- H335May cause respiratory irritation (10% 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 90% (18 of 20) of all reports.
- [1] European Chemicals Agency (ECHA) · 20 reports · WarningH315, H319, H335
Safety data sheets on the supplier’s page: VladaChem, Clinivex, Ambeed.
Always read the supplier’s safety data sheet before working with it.
Spectra
- NMRNMRShiftDB
- 1H NMRHuman Metabolome Database (HMDB) (Varian · 600 MHz · Water) · SpectraBase (Varian CFT-20)
- 13C NMRSpectraBase
- 1H-1H NMRHuman Metabolome Database (HMDB)
- 1H-13C NMRHuman Metabolome Database (HMDB) (Bruker · 600 MHz · 5%_DMSO)
- GC-MSNIST Mass Spectrometry Data Center · NIST Mass Spectrometry Data Center · NIST Mass Spectrometry Data Center
- LC-MSMassBank of North America (MoNA) (Quattro_QQQ · positive) · MassBank of North America (MoNA) (Quattro_QQQ · positive) · MassBank of North America (MoNA) (Quattro_QQQ · positive)
- FTIRSpectraBase (KBr WAFER)
- ATR-IRSpectraBase (Bio-Rad FTS · ATR-Neat)
- RamanSpectraBase (Bruker MultiRAM Stand Alone FT-Raman Spectrometer · FT-Raman)
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]Human Metabolome Database (HMDB) · Linked only · via PubChem · retrieved 2026-10-14
- [4]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
- [5]NIST Mass Spectrometry Data Center · Linked only · via PubChem · retrieved 2026-10-14
- [6]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.