2-Amino-3-(carbamoylmethylsulfanyl)propanoic acid

HCID 95482

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Basic information

CAS: 17528-66-4
Standard SMILES: NC(=O)CSCC(N)C(=O)O
InChIKey: VFKYKPOTSJWPIU-UHFFFAOYSA-N
Molecular formula: C5H10N2O3S
Average molar mass: 178.21 g/mol
Monoisotopic mass: 178.04121336

Names & identifiers

Preferred name: 2-Amino-3-(carbamoylmethylsulfanyl)propanoic acid
IUPAC: 2-amino-3-(2-amino-2-oxoethyl)sulfanylpropanoic acid

Names & synonyms

2-amino-3-(carbamoylmethylsulfanyl)propanoic acidNSC-14160S-carboxamidomethyl cysteineSCHEMBL2781165SCHEMBL3727558NSC14160AKOS000196006AKOS017271014DS-012907

Database identifiers

CAS: 17528-66-4
PubChem CID: 95482

Properties

Computed structural properties

XLogP: -3.8
Topological polar surface area: 132 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 11
Formal charge: 0
Complexity: 162

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