chempirical

Leucine

C6H13NO2CAS 61-90-5131.18 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
Density
1.14 g/mL
Melting point
293 °C
Boiling point
122–134 °C (at NaN Torr)
logP
0.44Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
61-90-5
SMILES
CC(C)C[C@H](N)C(=O)O
InChIKey
ROHFNLRQFUQHCH-YFKPBYRVSA-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

Weigh it out

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

Names and synonyms

16 names · show all
  • L-Leucine
  • Leucine, L-
  • Pentanoic acid, 2-amino-4-methyl-, (S)-
  • Leu
  • (S)-2-Amino-4-methylvaleric acid
  • (S)-(+)-Leucine
  • (S)-2-Amino-4-methylpentanoic acid
  • (S)-Leucine
  • L-α-Aminoisocaproic acid
  • L-(+)-Leucine
  • L-Norvaline, 4-methyl-
  • NSC 46709
  • (2S)-2-Amino-4-methylpentanoic acid
  • L-2-Amino-4-methylpentanoic acid
  • 1: PN: WO2020097235 SEQID: 238 claimed sequence
  • 17: PN: WO2021055880 SEQID: 18 claimed protein

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

Similar compounds

D-Leucine328-38-1100 % similar L-Leucyl-L-leucine3303-31-962 % similar L-Leucyl-L-alanine7298-84-262 % similar L-Cyclopropylalanine102735-53-561 % similar D-Cyclopropylalanine121786-39-861 % similar 5,5,5-Trifluoroleucine2792-72-558 % similar (+)-α-Aminobutyric acid1492-24-657 % similar D-α-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 L-tert-Leucine20859-02-3 N-Methyl-L-valine2480-23-1 D-tert-Leucine26782-71-8 D-Isoleucine319-78-8 D-Norleucine327-56-0

Elsewhere

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