(S)-3-Aminohexanedioic acid hydrochloride

C₆H₁₂ClNO₄CAS 61884-74-0197.61 g/mol

Open in Covalent MOL file

Carboxylic acid Primary amine

Properties

Molecular formula: C₆H₁₂ClNO₄
Molar mass: 197.61 g/mol
Exact mass: 197.0455 Da
logP: 0.08Crippen estimate
Polar surface area: 100.6 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 5
Stereocentres: Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

61884-74-0

SMILES

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

InChIKey

XMUKSNPNAOIQKU-WCCKRBBISA-N

InChI

InChI=1S/C6H11NO4.ClH/c7-4(3-6(10)11)1-2-5(8)9;/h4H,1-3,7H2,(H,8,9)(H,10,11);1H/t4-;/m0./s1

Weigh it out

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

Names and synonyms

1 names

L-Beta-homoglutamic acid hydrochloride

Work with (S)-3-Aminohexanedioic acid hydrochloride

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

Glutamic acid hydrochloride138-15-856 % similar (S)-3-Amino-4-phenylbutyric acid hydrochloride138165-77-254 % similar (3R)-3-Amino-4-phenylbutanoic acid hydrochloride145149-50-454 % similar L-Beta-homoalanine hydrochloride58610-41-652 % similar (R)-3-Amino-4-(p-tolyl)butanoic acid hydrochloride177839-85-950 % similar (R)-3-Amino-4-(3-thienyl)butanoic acid hydrochloride269726-91-250 % similar (S)-3-Amino-4-(4-bromophenyl)butanoic acid hydrochloride270062-84-550 % similar (S)-3-Amino-4-(4-fluorophenyl)butanoic acid hydrochloride270596-53-750 % similar

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

Same formula

Dimethyl aspartate hydrochloride32213-95-9 Dimethyl iminodiacetate hydrochloride39987-25-2 D-Aspartic acid dimethyl ester hydrochloride69630-50-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook