chempirical

(s)-2-Aminobutanoic acid hydrochloride

C4H10ClNO2CAS 5959-29-5139.58 g/mol

Open in Covalent MOL file
OOHNH2HCl
Carboxylic acidPrimary amine

Properties

Molecular formula
C4H10ClNO2
Molar mass
139.58 g/mol
Exact mass
139.0400 Da
logP
0.23Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2
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
5959-29-5
SMILES
CC[C@@H](C(=O)O)N.Cl
InChIKey
AMMBUJFMJOQABC-DFWYDOINSA-N
InChI
InChI=1S/C4H9NO2.ClH/c1-2-3(5)4(6)7;/h3H,2,5H2,1H3,(H,6,7);1H/t3-;/m0./s1

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Names and synonyms

1 names
  • L-2-Aminobutyric acid hydrochloride

Work with (s)-2-Aminobutanoic 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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

α-Aminobutyric acid2835-81-6Free base, stereo not defined α-Aminobutyric acid80-60-4Free base, stereo not defined (+)-α-Aminobutyric acid1492-24-6Free base D-α-Aminobutyric acid2623-91-8Free base, enantiomer

Similar compounds

(S)-(+)-2,3-Diaminopropionic acid hydrochloride1482-97-962 % similar DL-2,3-Diaminopropionic acid hydrochloride54897-59-562 % similar DL-2,3-Diaminopropionic acid hydrochloride6018-55-962 % similar (R)-(-)-2,3-Diaminopropionic acid hydrochloride6018-56-062 % similar (±)-Cysteine hydrochloride10318-18-060 % similar Cystine dihydrochloride30925-07-660 % similar (S)-2-Amino-3-mercaptopropanoic acid hydrochloride32443-99-560 % similar L-Cystine, hydrochloride (1:?)34760-60-660 % similar

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

Same formula

Methyl sarcosinate hydrochloride13515-93-0 (±)-Alanine methyl ester hydrochloride13515-97-4 (R)-2-Aminopropionic acid methyl ester hydrochloride14316-06-4 cis-3,4-Dihydroxypyrrolid...186393-21-5 Dimethylglycine hydrochloride2491-06-7 Alanine methyl ester hydrochloride2491-20-5 Methyl 3-aminopropionate hydrochloride3196-73-4 L-Beta-homoalanine hydrochloride58610-41-6

Elsewhere

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