S-(N-Methylcarbamate) cysteine ethyl ester
Basic information
- CAS
91868-78-9- Standard SMILES
CCOC(=O)[C@@H](N)CSC(=O)NC- InChIKey
LPGKOEYCWNVAOK-YFKPBYRVSA-N- Molecular formula
- C7H14N2O3S
- Average molar mass
- 206.27 g/mol
- Monoisotopic mass
- 206.07251349
Overview
RN given refers to parent cpd; structure given in first source
Names & identifiers
- Preferred name
- S-(N-Methylcarbamate) cysteine ethyl ester
- IUPAC
- ethyl (2R)-2-amino-3-(methylcarbamoylsulfanyl)propanoate
- English name
- S-(N-methylcarbamate) cysteine ethyl ester
- Molecular formula
- C7H14N2O3S
- Molecular weight
- 206.26266
Names & synonyms
KDO6VBY1JFS-(N-Methylcarbamate) cysteine ethyl ester91868-78-9NSC 303861L-Cysteine, ethyl ester, methylcarbamate (ester)NSC-303861RefChem:931070L-Cysteine, ethyl ester, methylcarbamate (ester), monohydrochlorideUNII-KDO6VBY1JFSCHEMBL11013217LPGKOEYCWNVAOK-YFKPBYRVSA-NETHYL CYSTEINATE METHYLCARBAMATE
Show more names
Y-6430Ethyl 2-amino-3-([(methylamino)carbonyl]sulfanyl)propanoate #L-Cysteine, ethyl ester, S-(N-methylcarbamate) monohydrochloride
Database identifiers
- CAS
91868-78-9- PubChem CID
- 130280
- UNII
- KDO6VBY1JF
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 187
Physicochemical properties
- FDA UNII
- 6 VBY1JF · KDO6VBY1JF
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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