Molecule record

proline

C5H9NO2

115.13 g/mol

2D structure for proline

Molecular properties

Formula
C5H9NO2
Molar mass
115.13 g·mol−1
Exact mass
115.0633 Da
2
2
3
49.30 Ų
-2.5 (PubChem computed XLogP3-AA descriptor)
CAS
147-85-3
PubChem CID
145742

Interactions

Polarity
Often polar; exact polarity depends on size, substitution, and ionization state.
Acid-base behavior
Review ionizable groups and pKa data where available; ChemForge does not infer definitive acid-base state from identity alone.
Intermolecular forces
Assess dispersion, dipole interactions, hydrogen bonding, and ionic character from the functional groups shown.

Functional groups

Alcohol
Aromatic ring
Carboxylic acid
Phenol

Physical properties

PropertyValueConditionsSource
Logp-2.5PubChem computed XLogP3-AA descriptorPubChem(link only)

Common names and synonyms

  • (-)-(S)-Proline
  • (-)-2-Pyrrolidinecarboxylic acid
  • (-)-Proline
  • (2S)-pyrrolidine-2-carboxylic acid
  • (S)-2-Carboxypyrrolidine
  • (S)-2-Pyrrolidinecarboxylic acid
  • (S)-Proline
  • (S)-Pyrrolidine-2-carboxylic acid
Show all 23 synonyms
  • 147-85-3
  • 2-Pyrrolidinecarboxylic acid, (S)-
  • 2-pyrrolidinecarboxylic acid
  • AI3-26710
  • CB 1707
  • FEMA No. 3319
  • L-(-)-Proline
  • L-Pro
  • L-Prolin
  • L-alpha-Pyrrolidinecarboxylic acid
  • L-proline
  • PRO (IUPAC abbreviation)
  • Prolinum
  • Prolinum [Latin]
  • prolina

Structure identifiers

Canonical SMILES
C1C[C@H](NC1)C(=O)O
Isomeric SMILES
C1C[C@H](NC1)C(=O)O
InChI
InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1
InChIKey
ONIBWKKTOPOVIA-BYPYZUCNSA-N
PubChem CID
145742

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library

Simulated FTIR trace

Predicted FTIR / %T

4 cm-1 resolution / deterministic instrument profile

Hover for cursor
4000350030002500200015001000500100500wavenumber (cm−1)transmittance (%)

Peak assignments

3350 cm−1broad O-H (simulated)
3000 cm−1broad acid O-H (simulated)
1710 cm−1C=O acid (simulated)
3030 cm−1aromatic C-H (simulated)
1600 cm−1aromatic C=C (simulated)
2960 cm−1sp3 C-H (simulated)

Simulated NMR

On-demand educational prediction for proline; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for proline; not experimental data.

Sources

Molecule identity

Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.

simulated IR

ChemForge original educational simulation.

Open source record
proline - Formula, Structure, Properties, IR and spectroscopy data | ChemArche