(S)-3-Aminohexanedioic acid hydrochloride

C6H12ClNO4CAS 61884-74-0197.61 g/mol

Open in Covalent MOL file
OHOOOHNH2HCl
Carboxylic acidPrimary 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 Ų
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.

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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

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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

L-Beta-homoleucine hydrochloride96386-92-459 % similar 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

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

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