S-(4-methylbenzyl)cysteine

HCID 3677650

Notes Reactions

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Basic information

Standard SMILES: Cc1ccc(CSCC(N)C(=O)O)cc1
InChIKey: QOAPFSZIUBUTNW-UHFFFAOYSA-N
Molecular formula: C11H15NO2S
Average molar mass: 225.31 g/mol

Names & identifiers

Preferred name: S-(4-methylbenzyl)cysteine
IUPAC: 2-amino-3-[(4-methylphenyl)methylsulfanyl]propanoic acid

Names & synonyms

S-(4-methylbenzyl)cysteineMLS000586572SCHEMBL1158094(2R)-2-AMINO-3-{[(4-METHYLPHENYL)METHYL]SULFANYL}PROPANOIC ACIDCHEMBL1382407HMS2574G17AKOS000194722AKOS017276305SMR000207951DB-0508922-azaniumyl-3-(p-tolylmethylsulfanyl)propanoateSR-01000578077

Show more names

SR-01000578077-12-AMINO-3-(4-METHYL-BENZYLSULFANYL)-PROPIONIC ACID

Database identifiers

PubChem CID: 3677650
ChEMBL: CHEMBL1382407

Properties

Computed structural properties

XLogP: -0.9
Topological polar surface area: 88.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 15
Formal charge: 0
Complexity: 203

Related reactions

3 records

New reaction record

HRID 103770As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 1204075As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 2156942As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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