Athanor by arbastro
download
Library

Glutamine

Athanor · official

C5H10N2O3 · 146.14 g/mol

IUPAC name: (2S)-2,5-diamino-5-oxopentanoic acid

Also called L-glutamine

Amino acids
Open in Athanor
The structure of Glutamine
Drawn from its SMILES with RDKit

Names and identifiers

IUPAC name
(2S)-2,5-diamino-5-oxopentanoic acid
Synonyms
L-glutamine, Levoglutamide, L-(+)-Glutamine
+ 35 more

Cebrogen, Stimulina, glumin, Glutamic acid amide, Levoglutamid, Glavamin, (S)-2,5-Diamino-5-oxopentanoic acid, glutamic acid 5-amide, L-Glutamide, 2-aminoglutaramic acid, Nutrestore, Saforis, L-2-Aminoglutaramidic acid, L-Glutamin, L-Glutamic acid gamma-amide, Glumin (amino acid), (2S)-2,5-diamino-5-oxopentanoic acid, L-2-Aminoglutaramic acid, Levoglutamida, Levoglutamidum, (2S)-2-amino-4-carbamoylbutanoic acid, FEMA No. 3684, Levoglutamina, L-Glutaminsaeure-5-amid, gamma-Glutamine, ENDARI, CHEBI:18050, 0RH81L854J, NSC-27421, glutamina, DTXSID1023100, (2S)-2,5-diamino-5-oxopentanoate, GLUTAMINE,L-, CHEBI:28300, glutaminum

Molecular formula
C5H10N2O3
Empirical formula
C5H10N2O3
Molecular weight
146.14 g/mol
Exact mass
146.06914
CAS number
56-85-9
PubChem CID
5961
Canonical SMILES
C(CC(=O)N)C(C(=O)O)N
Isomeric SMILES
C(CC(=O)N)[C@@H](C(=O)O)N
InChI
InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1
InChIKey
ZDXPYRJPNDTMRX-VKHMYHEASA-N
Molfile

Names, InChI and the identifiers from PubChem, retrieved 2026-10-14.

Physical properties

TemperaturePressureDensity
Appearance
White crystalline powder[1]
Melting point
184-185 °C (decomposes)[1]
Density
1.364 g/cu cm[1]
Solubility in water
In water, 41,300 mg/L at 25 °C[1]
log P
log Kow = -3.15[1]

Each value as its source reports it, with the source's number after it (listed under References). Where several sources report a property, the row shows the value most of them agree on, the rule the app uses; open the values to see every one.

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 4
Rotatable bonds
4
TPSA (Ų)
106.4 computed here · PubChem 106
Formal charge
0
XLogP3
-3.1 PubChem
Complexity
146 PubChem
Stereocenters
1 definedCIP: C6: S
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

  • C41.09%
  • H6.90%
  • N19.17%
  • O32.84%

Isotope pattern

100%146.0696.4%147.072148.074

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
-1.34 Crippen (Wildman and Crippen 1999)
log S (water solubility)
0.36 ESOL (Delaney 2004), log mol/L
Synthetic accessibility
2.43 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

  • Molecular weight ≤ 500: 146.15
  • log P ≤ 5 (Crippen): -1.34
  • 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

This chemical does not meet GHS hazard criteria for 98.8% (245 of 248) of all reports.[2]

Storage

  • Keep container tightly closed in a dry and well-ventilated place. Recommended storage temperature: -20 °C/L-Glutamine solution/[1]
  • Store at 25 °C (77 °F) with excursions allowed to 15 deg-30 °C (59 deg -86 °F).[1]

Incompatibilities

  • Strong oxidizing agents[1]

Safety data sheets on the supplier’s page: Molport, Thermo Fisher Scientific, Alfa Chemistry.

Always read the supplier’s safety data sheet before working with it.

Spectra

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. [1]Hazardous Substances Data Bank (HSDB) · Public domain (US NLM) · via PubChem · retrieved 2026-10-14
  2. [2]European Chemicals Agency (ECHA) · ECHA legal notice: reuse with acknowledgement · via PubChem · retrieved 2026-10-14
  3. [3]Human Metabolome Database (HMDB) · Linked only · via PubChem · retrieved 2026-10-14
  4. [4]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
  5. [5]MassBank Europe · Linked only · via PubChem · retrieved 2026-10-14
  6. [6]MassBank of North America (MoNA) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
  7. [7]NIST Mass Spectrometry Data Center · Linked only · via PubChem · retrieved 2026-10-14
  8. ·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
  9. ·Literature on PubChem

Data last updated 2026-10-14.