D-Alloisoleucine

C6H13NO2CAS 1509-35-9131.18 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
280 °C
logP
0.44Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3
Stereocentres
S, Rin SMILES atom order

Hazards

Not classified as hazardous under GHS by 11 ECHA notifiers. Aggregated from 11 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

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

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.

L-Alloisoleucine1509-34-8Enantiomer 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