chempirical

L-Alloisoleucine

C6H13NO2CAS 1509-34-8131.18 g/mol

Open in Covalent MOL file
NH2OOH
AlcoholCarboxylic AcidPrimary Amine

Properties

Molecular formula
C6H13NO2
Molar mass
131.18 g/mol
Exact mass
131.0946 Da
Melting point
278 °C (decomposes)
logP
0.44Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3

Identifiers

CAS number
1509-34-8
SMILES
CC[C@@H](C)[C@H](N)C(=O)O
InChIKey
AGPKZVBTJJNPAG-UHNVWZDZSA-N
InChI
InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5+/m1/s1

Weigh it out

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

Names and synonyms

14 names · show all
  • Alloisoleucine, L-
  • Alloisoleucine
  • L-Allo-Isoleucine
  • Pentanoic acid, 2-amino-3-methyl-, [S-(R*,S*)]-
  • (3R)-LS-Isoleucine
  • L-Norvaline, 3-methyl-, threo-
  • L-Isoleucine, allo-
  • L-Isoleucine, threo-
  • Allo-L-isoleucine
  • L(+)-Alloisoleucine
  • [S-(R*,S*)]-2-Amino-3-methylpentanoic acid
  • Allo-Isoleucine
  • NSC 206282
  • (2S,3R)-2-Amino-3-methylpentanoic acid

Work with L-Alloisoleucine

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

Same formula

Dimethylaminoethyl acetate1421-89-2 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 Norleucine327-57-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook