O-Acetyl-L-serine hydrochloride

C₅H₁₀ClNO₄CAS 66638-22-0183.59 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
logP: -0.62Crippen estimate
Polar surface area: 89.6 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 3
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

66638-22-0

SMILES

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

InChIKey

MGQOSZSPKMBSRW-WCCKRBBISA-N

InChI

InChI=1S/C5H9NO4.ClH/c1-3(7)10-2-4(6)5(8)9;/h4H,2,6H2,1H3,(H,8,9);1H/t4-;/m0./s1

Weigh it out

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

Work with O-Acetyl-L-serine 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.

O-Acetylserine5147-00-2Free base

Similar compounds

Dl-O-methylserine19794-53-754 % similar (S)-2-Amino-3-methoxypropanoic acid32620-11-454 % similar (s)-2-Aminobutanoic acid hydrochloride5959-29-554 % similar (S)-(+)-2,3-Diaminopropionic acid hydrochloride1482-97-951 % similar DL-2,3-Diaminopropionic acid hydrochloride54897-59-551 % similar DL-2,3-Diaminopropionic acid hydrochloride6018-55-951 % similar (R)-(-)-2,3-Diaminopropionic acid hydrochloride6018-56-051 % similar (±)-Cysteine hydrochloride10318-18-050 % similar

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

Same formula

Glutamic acid hydrochloride138-15-8 L-Aspartic acid β-methyl ester hydrochloride16856-13-6

Elsewhere

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