L-Aspartic acid β-methyl ester hydrochloride

C₅H₁₀ClNO₄CAS 16856-13-6183.59 g/mol

Open in Covalent MOL file

Carboxylic acid Ester Primary amine

Properties

Molecular formula: C₅H₁₀ClNO₄
Molar mass: 183.59 g/mol
Exact mass: 183.0298 Da
Melting point: 190 °C
logP: -0.62Crippen estimate
Polar surface area: 89.6 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 3
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

16856-13-6

SMILES

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

InChIKey

QRBMPUYOGOCYDJ-DFWYDOINSA-N

InChI

InChI=1S/C5H9NO4.ClH/c1-10-4(7)2-3(6)5(8)9;/h3H,2,6H2,1H3,(H,8,9);1H/t3-;/m0./s1

Weigh it out

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

Names and synonyms

5 names

L-Aspartic acid, 4-methyl ester, hydrochloride (1:1)
L-Aspartic acid, 4-methyl ester, hydrochloride
Aspartic acid, 4-methyl ester, hydrochloride, L-
β-Methyl L-aspartate hydrochloride
(S)-2-Amino-4-methoxy-4-oxobutanoic acid hydrochloride

Work with L-Aspartic acid β-methyl ester 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

Aspartic acid β-methyl ester2177-62-090 % similar Dimethyl aspartate hydrochloride32213-95-966 % similar 5-Methyl hydrogen L-glutamate1499-55-464 % similar 4-(1,1-Dimethylethyl) hydrogen L-aspartate3057-74-758 % similar DL-2,3-Diaminopropionic acid hydrochloride54897-59-551 % similar DL-2,3-Diaminopropionic acid hydrochloride6018-55-951 % similar (±)-Cysteine hydrochloride10318-18-050 % similar Dimethyl L-glutamate hydrochloride23150-65-450 % similar

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

Same formula

Glutamic acid hydrochloride138-15-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook