L-Alloisoleucine

C6H13NO2CAS 1509-34-8131.18 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
278 °C (decomposes)
logP
0.44Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3
Stereocentres
R, Sin SMILES atom order

Hazards

Not classified as hazardous under GHS by 104 ECHA notifiers. Aggregated from 104 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

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

15 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
  • Alloisoleucine, DL-

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

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.

D-Alloisoleucine1509-35-9Enantiomer Isoleucine73-32-5Diastereomer DL-Isoleucine443-79-8Diastereomer D-Isoleucine319-78-8Diastereomer

Similar compounds

DL-Valine516-06-355 % similar D-Valine640-68-655 % similar Valine72-18-455 % similar (+)-α-Aminobutyric acid1492-24-653 % similar D-Alpha-aminobutyric acid2623-91-853 % similar α-Aminobutyric acid2835-81-653 % similar α-Aminobutyric acid80-60-453 % similar H-Ile-nh2 hcl10466-56-553 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Dimethylaminoethyl acetate1421-89-2 tert-Butyl methylcarbamate16066-84-5 L-tert-Leucine20859-02-3 N-Methyl-L-valine2480-23-1 D-tert-Leucine26782-71-8 D-Norleucine327-56-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook