Basic information
- Standard SMILES
C=CC(OCc1ccccc1)C(NC(=O)OC(C)(C)C)C(=O)O- InChIKey
UKAWGKWHYLTWPL-UHFFFAOYSA-N- Molecular formula
- C17H23NO5
- Average molar mass
- 321.4 g/mol
- Monoisotopic mass
- 321.15762283
Names & identifiers
- Preferred name
- 2-[(1,1-Dimethylethoxy)carbonyl]amino-3-phenylmethoxy-4pentenoic acid
- IUPAC
- 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypent-4-enoic acid
Names & synonyms
SCHEMBL6771948UKAWGKWHYLTWPL-UHFFFAOYSA-N2-[(1,1-Dimethylethoxy)carbonyl]amino-3-phenylmethoxy-4pentenoic acid2-[[1,1-dimethylethoxy)carbonyl]amino-3-phenylmethoxy-4-pentenoic acid
Database identifiers
- PubChem CID
- 23508263
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 410
Related reactions
2 records
Compound notes
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