(R)-3-Amino-4-(3-pyridyl)-butyric acid-2hcl

C9H14Cl2N2O2CAS 269396-64-7253.12 g/mol

Open in Covalent MOL file
NOOHNH2HClHCl
Carboxylic acidPrimary amine

Properties

Molecular formula
C9H14Cl2N2O2
Molar mass
253.12 g/mol
Exact mass
252.0432 Da
logP
1.27Crippen estimate
Polar surface area
76.2 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
4
Stereocentres
Rin 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
269396-64-7
SMILES
C1=CC(=CN=C1)C[C@H](CC(=O)O)N.Cl.Cl
InChIKey
JOYZJLGIWVGPRK-YCBDHFTFSA-N
InChI
InChI=1S/C9H12N2O2.2ClH/c10-8(5-9(12)13)4-7-2-1-3-11-6-7;;/h1-3,6,8H,4-5,10H2,(H,12,13);2*1H/t8-;;/m1../s1

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Names and synonyms

1 names
  • (R)-3-Amino-4-(pyridin-3-yl)butanoic acid dihydrochloride

Work with (R)-3-Amino-4-(3-pyridyl)-butyric acid-2hcl

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

(S)-3-Amino-4-phenylbutyric acid hydrochloride138165-77-270 % similar (3R)-3-Amino-4-phenylbutanoic acid hydrochloride145149-50-470 % similar 3-Pyridylacetic acid hydrochloride6419-36-963 % similar β-Aminobenzenebutanoic acid15099-85-163 % similar (S)-3-Amino-4-(3-chlorophenyl)butanoic acid hydrochloride270596-38-861 % similar (R)-3-Amino-4-(3-methylphenyl)butanoic acid hydrochloride269398-82-560 % similar (R)-3-Amino-4-(p-tolyl)butanoic acid hydrochloride177839-85-958 % similar (R)-3-Amino-4-(3-thienyl)butanoic acid hydrochloride269726-91-258 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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