Molecular properties
- Formula
- C6H13NO2
- Molar mass
- 131.17 g·mol−1
- Exact mass
- 131.0946 Da
- 1
- 2
- 3
- 63.30 Ų
- -1.5 (PubChem computed XLogP3-AA descriptor)
- CAS
- 61-90-5
- PubChem CID
- 6106
Molecule record
leucine
C6H13NO2
131.17 g/mol
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
Amine
Carboxylic acid
Physical properties
| Property | Value | Conditions | Source |
|---|---|---|---|
| Logp | -1.5 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- (2S)-2-amino-4-methylpentanoic acid
- (2S)-alpha-2-amino-4-methylvaleric acid
- (2S)-alpha-leucine
- (S)-(+)-Leucine
- (S)-2-Amino-4-methylpentanoic acid
- (S)-2-Amino-4-methylvaleric acid
- (S)-Leucine
- 2-amino-4-methylvaleric acid
Show all 23 synonyms
- 61-90-5
- FEMA No. 3297
- GMW67QNF9C
- L-(-)-2-Amino-4-methylpentanoic acid
- L-Leuzin
- L-alpha-Aminoisocaproic acid
- L-leucin
- L-leucine
- LEUCINE, L-
- Leucin
- Leucina
- Leucine, l
- Leucinum
- NSC-46709
- alpha-Aminoisocaproic acid
Structure identifiers
- Canonical SMILES
- CC(C)C[C@@H](C(=O)O)N
- Isomeric SMILES
- CC(C)C[C@@H](C(=O)O)N
- InChI
- InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1
- InChIKey
- ROHFNLRQFUQHCH-YFKPBYRVSA-N
- PubChem CID
- 6106
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
Simulated FTIR trace
Predicted FTIR / %T
4 cm-1 resolution / deterministic instrument profile
Hover for cursor
Peak assignments
3350 cm−1broad O-H (simulated)
3000 cm−1broad acid O-H (simulated)
1710 cm−1C=O acid (simulated)
2960 cm−1sp3 C-H (simulated)
Simulated NMR
On-demand educational prediction for leucine; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for leucine; 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.