chempirical

D-Alloisoleucine

C6H13NO2CAS 1509-35-9131.18 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
280 °C
logP
0.44Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3

Identifiers

CAS number
1509-35-9
SMILES
CC[C@H](C)[C@@H](N)C(=O)O
InChIKey
AGPKZVBTJJNPAG-CRCLSJGQSA-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+/m0/s1

Weigh it out

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

Names and synonyms

6 names
  • Alloisoleucine, D-
  • Threo-D-Isoleucine
  • D-(-)-Alloisoleucine
  • D-Allo-Isoleucine
  • (2R,3S)-3-Methyl-2-aminopentanoic acid
  • (2R,3S)-2-Amino-3-methylpentanoic acid

Work with D-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 L-Alloisoleucine1509-34-8 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