Leucine

C6H13NO2CAS 328-39-2131.18 g/mol

Open in Covalent MOL file
NH2OOH
Carboxylic acidPrimary amine

Properties

Molecular formula
C6H13NO2
Molar mass
131.18 g/mol
Exact mass
131.0946 Da
Melting point
293 °C
logP
0.44Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3

Hazards

Not classified as hazardous under GHS by 6 ECHA notifiers. Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
328-39-2
SMILES
CC(C)CC(N)C(=O)O
InChIKey
ROHFNLRQFUQHCH-UHFFFAOYSA-N
InChI
InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • DL-Leucine
  • Leucine, DL-
  • (±)-Leucine
  • (RS)-Leucine
  • NSC 9252
  • 2-Amino-4-methylpentanoic acid

Reactions

Work with Leucine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Leucine61-90-5Defined stereoisomer D-Leucine328-38-1Defined stereoisomer

Similar compounds

L-Leucyl-L-leucine3303-31-962 % similar L-Leucyl-L-alanine7298-84-262 % similar L-Cyclopropylalanine102735-53-561 % similar D-Cyclopropylalanine121786-39-861 % similar Leu-val13588-95-958 % similar 5,5,5-Trifluoroleucine2792-72-558 % similar (+)-α-Aminobutyric acid1492-24-657 % similar D-Alpha-aminobutyric acid2623-91-857 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Dimethylaminoethyl acetate1421-89-2 L-Alloisoleucine1509-34-8 D-Alloisoleucine1509-35-9 tert-Butyl methylcarbamate16066-84-5 L-tert-Leucine20859-02-3 N-Methyl-L-valine2480-23-1 D-tert-Leucine26782-71-8 D-Isoleucine319-78-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook