tert-Butyl (4S)-4-amino-4-carbamoylbutanoate hydrochloride

C₉H₁₉ClN₂O₃CAS 108607-02-9238.71 g/mol

Open in Covalent MOL file

Amide Ester Primary amine

Properties

Molecular formula: C₉H₁₉ClN₂O₃
Molar mass: 238.71 g/mol
Exact mass: 238.1084 Da
logP: 0.34Crippen estimate
Polar surface area: 95.4 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 4
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

108607-02-9

SMILES

CC(C)(C)OC(=O)CC[C@@H](C(=O)N)N.Cl

InChIKey

NWLREMKEFHDCSV-RGMNGODLSA-N

InChI

InChI=1S/C9H18N2O3.ClH/c1-9(2,3)14-7(12)5-4-6(10)8(11)13;/h6H,4-5,10H2,1-3H3,(H2,11,13);1H/t6-;/m0./s1

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Names and synonyms

1 names

H-Glu(otbu)-nh2 hcl

Work with tert-Butyl (4S)-4-amino-4-carbamoylbutanoate 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

L-Glutamic acid di-tert-butyl ester hydrochloride32677-01-372 % similar L-Glutamic acid 5-tert-butyl methyl ester hydrochloride6234-01-167 % similar 5-(1,1-Dimethylethyl) hydrogen L-glutamate2419-56-961 % similar Glycine tert-butyl ester hydrochloride27532-96-353 % similar H-Glu(obzl)-otbu hcl105590-97-449 % similar 4-(1,1-Dimethylethyl) hydrogen L-aspartate3057-74-749 % similar L-Norvaline, 1,1-dimethylethyl ester, hydrochloride (1:1)119483-47-548 % similar Dimethyl L-glutamate hydrochloride23150-65-445 % similar

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

Elsewhere

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