2-{[(Benzyloxy)carbonyl]amino}-3-(thiophen-2-yl)propanoic acid
Basic information
- Standard SMILES
O=C(NC(Cc1cccs1)C(=O)O)OCc1ccccc1- InChIKey
CKJLJMFZZAWDKK-UHFFFAOYSA-N- Molecular formula
- C15H15NO4S
- Average molar mass
- 305.4 g/mol
- Monoisotopic mass
- 305.07217913
Names & identifiers
- Preferred name
- 2-{[(Benzyloxy)carbonyl]amino}-3-(thiophen-2-yl)propanoic acid
- IUPAC
- 2-(phenylmethoxycarbonylamino)-3-thiophen-2-ylpropanoic acid
Names & synonyms
86394-48-12-{[(benzyloxy)carbonyl]amino}-3-(thiophen-2-yl)propanoic acid2-(((Benzyloxy)carbonyl)amino)-3-(thiophen-2-yl)propanoic acidSCHEMBL2961792CKJLJMFZZAWDKK-UHFFFAOYSA-NAKOS013464854DB-209722N-(Benzyloxycarbonyl) beta-thienyl-D,L-alanineEN300-1229296N-(benzyloxycarbonyl)-3-(2-thienyl)-dl-alanineN-(Benzyloxycarbonyl)-3-(2-thienyl)-D,L-alanine
Database identifiers
- PubChem CID
- 12806830
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 358
Related reactions
33 records
Compound notes
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