{[(Benzyloxy)carbonyl]amino}(propylsulfanyl)acetic acid
Basic information
- CAS
821800-03-7- Standard SMILES
CCCSC(NC(=O)OCc1ccccc1)C(=O)O- InChIKey
KBXDXAHOKTYNBQ-UHFFFAOYSA-N- Molecular formula
- C13H17NO4S
- Average molar mass
- 283.35 g/mol
- Monoisotopic mass
- 283.0878292
Names & identifiers
- Preferred name
- {[(Benzyloxy)carbonyl]amino}(propylsulfanyl)acetic acid
- IUPAC
- 2-(phenylmethoxycarbonylamino)-2-propylsulfanylacetic acid
Names & synonyms
821800-03-7DTXSID10838912{[(BENZYLOXY)CARBONYL]AMINO}(PROPYLSULFANYL)ACETIC ACID
Database identifiers
- CAS
821800-03-7- PubChem CID
- 71419682
- DTXSID
DTXSID10838912
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 292
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Compound notes
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