chempirical

(S)-Methyl 2-aminobutanoate hydrochloride

C5H12ClNO2CAS 56545-22-3153.61 g/mol

Open in Covalent MOL file
OONH2HCl
EsterPrimary amine

Properties

Molecular formula
C5H12ClNO2
Molar mass
153.61 g/mol
Exact mass
153.0557 Da
logP
0.32Crippen estimate
Polar surface area
52.3 Ų
H-bond donors / acceptors
1 / 3
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
56545-22-3
SMILES
CC[C@@H](C(=O)OC)N.Cl
InChIKey
AHAQQEGUPULIOZ-WCCKRBBISA-N
InChI
InChI=1S/C5H11NO2.ClH/c1-3-4(6)5(7)8-2;/h4H,3,6H2,1-2H3;1H/t4-;/m0./s1

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

Names and synonyms

1 names
  • H-Abu-ome hcl

Work with (S)-Methyl 2-aminobutanoate 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.

Methyl D-homoalaninate hcl85774-09-0Enantiomer

Similar compounds

L-Glutamine methyl ester hydrochloride32668-14-767 % similar D-Glutamine methyl ester hydrochloride74817-54-267 % similar 3-Chloro-D-alanine methyl ester,hydrochloride112346-82-466 % similar Methyl cysteinate hydrochloride18598-63-566 % similar Cystine dimethyl ester dihydrochloride32854-09-466 % similar Methyl 2-amino-3-hydroxypropionate hydrochloride5619-04-566 % similar Serine methyl ester hydrochloride5680-80-866 % similar Methyl D-serinate hydrochloride5874-57-766 % similar

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

Same formula

(S)-Alanine ethyl ester hydrochloride1115-59-9 Methyl 4-aminobutyrate hydrochloride13031-60-2 (2S)-Morpholin-2-ylmethanol hydrochloride1313584-92-7 Propan-2-yl 2-aminoacetate hydrochloride14019-62-6 2-(Hydroxymethyl)morpholine hydrochloride144053-98-5 3-Dimethylaminopropionic acid hydrochloride14788-12-6 α-Aminoisobutyric acid methyl ester hydrochloride15028-41-8 (S)-2-(Aminomethyl)-1,4-dioxane Hydrochloride1523541-96-9

Elsewhere

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