Ethyl 2-amino-3-sulfanylpropanoate

HCID 3297

Notes Reactions

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Basic information

CAS: 69685-04-7
Standard SMILES: CCOC(=O)C(N)CS
InChIKey: YVKSGVDJQXLXDV-UHFFFAOYSA-N
Molecular formula: C5H11NO2S
Average molar mass: 149.21 g/mol

Names & identifiers

Preferred name: Ethyl 2-amino-3-sulfanylpropanoate
IUPAC: ethyl 2-amino-3-sulfanylpropanoate
English name: ethyl DL-cysteinate
Molecular formula: C5H11NO2S
Molecular weight: 149.21134

Names & synonyms

Ethyl 2-amino-3-sulfanylpropanoate69685-04-7ETHYL 2-AMINO-3-MERCAPTOPROPANOATEEthyl DL-cysteinateethyl cysteinatecysteinethylesterEINECS 274-081-8SCHEMBL111397CHEMBL3559783SCHEMBL10632695BBL030426STL146353

Show more names

ethyl cysteineCysteine, ethyl esterDL-Cysteine, ethyl ester

AKOS005721138EN300-718779SR-01000945172SR-01000945172-1

Database identifiers

CAS: 69685-04-7
PubChem CID: 3297
ChEMBL: CHEMBL3559783
EC Number: 274-081-8
Nikkaji: J895.929C

Properties

Computed structural properties

XLogP: -0.1
Topological polar surface area: 53.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 9
Formal charge: 0
Complexity: 97

Related reactions

17 records

New reaction record

HRID 118862As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 146828As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 174117As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 180767As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 295491As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 568892As reactantuspto-grants-1988_03

HRID 801495As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 807889As reactantTest data from https://doi.org/10.1039/C8SC04228D

Compound notes

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