H-Ile-nh2 hcl

C₆H₁₅ClN₂OCAS 10466-56-5166.65 g/mol

Open in Covalent MOL file

Amide Primary amine

Properties

Molecular formula: C₆H₁₅ClN₂O
Molar mass: 166.65 g/mol
Exact mass: 166.0873 Da
logP: 0.27Crippen estimate
Polar surface area: 69.1 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 3
Stereocentres: S, Sin SMILES atom order

Identifiers

CAS number

10466-56-5

SMILES

CC[C@H](C)[C@@H](C(=O)N)N.Cl

InChIKey

SAOZPTBFWAEJQL-FHAQVOQBSA-N

InChI

InChI=1S/C6H14N2O.ClH/c1-3-4(2)5(7)6(8)9;/h4-5H,3,7H2,1-2H3,(H2,8,9);1H/t4-,5-;/m0./s1

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

Names and synonyms

1 names

(2S,3S)-2-Amino-3-methylpentanamide hydrochloride

Work with H-Ile-nh2 hcl

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

Methyl isoleucinate hydrochloride18598-74-858 % similar (2R)-2-Amino-3-methylbutanamide hydrochloride133170-58-858 % similar Ethyl 2-amino-3-methylvalerate hydrochloride56782-52-657 % similar L-Alloisoleucine1509-34-853 % similar D-Alloisoleucine1509-35-953 % similar D-Isoleucine319-78-853 % similar Dl-isoleucine443-79-853 % similar Isoleucine73-32-553 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Leucinamide hydrochloride10466-61-2

Elsewhere

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