chempirical

(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. Search the SDS library

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

Weigh it out

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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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