chempirical

(S)-Methyl (1-aminopropan-2-yl)carbamate hydrochloride

C5H13ClN2O2CAS 1229025-32-4168.62 g/mol

Open in Covalent MOL file
OONHNH2HCl
Primary amine

Properties

Molecular formula
C5H13ClN2O2
Molar mass
168.62 g/mol
Exact mass
168.0666 Da
logP
0.32Crippen estimate
Polar surface area
67.8 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
1229025-32-4
SMILES
COC(O)=N[C@@H](C)CN.Cl
InChIKey
DTVBZYSSZUCODC-WCCKRBBISA-N
InChI
InChI=1S/C5H12N2O2.ClH/c1-4(3-6)7-5(8)9-2;/h4H,3,6H2,1-2H3,(H,7,8);1H/t4-;/m0./s1

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Names and synonyms

1 names
  • Carbamic acid, N-[(1S)-2-amino-1-methylethyl]-, methyl ester, hydrochloride (1:1)

Work with (S)-Methyl (1-aminopropan-2-yl)carbamate 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

N-(Methoxycarbonyl)-L-valine74761-42-539 % similar Methyl carbazate6294-89-938 % similar 1,1-Dimethylethyl N-[(1R)-2-hydroxy-1-methylethyl]carbamate106391-86-036 % similar 1,1-Dimethylethyl N-[(1S)-2-hydroxy-1-methylethyl]carbamate79069-13-936 % similar N-(Methoxycarbonyl)-3-methyl-L-valine162537-11-335 % similar (3R)-3-[[(1,1-Dimethylethoxy)carbonyl]amino]butanoic acid159991-23-833 % similar (αR)-α-[(Methoxycarbonyl)amino]benzeneacetic acid50890-96-532 % similar Glycine methyl ester hydrochloride5680-79-532 % similar

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

Same formula

2,5-Diaminopentanoic acid hydrochloride1069-31-4 (R)-Ornithine hydrochloride16682-12-5 Ornithine hydrochloride3184-13-2

Elsewhere

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