3-Phenyl-2-(2-pyridin-2-ylethoxycarbonylamino)propanoic acid
Basic information
- CAS
87136-59-2- Standard SMILES
O=C(NC(Cc1ccccc1)C(=O)O)OCCc1ccccn1- InChIKey
IAEFAPVBBQTSLU-UHFFFAOYSA-N- Molecular formula
- C17H18N2O4
- Average molar mass
- 314.34 g/mol
- Monoisotopic mass
- 314.12665706
Names & identifiers
- Preferred name
- 3-Phenyl-2-(2-pyridin-2-ylethoxycarbonylamino)propanoic acid
- IUPAC
- 3-phenyl-2-(2-pyridin-2-ylethoxycarbonylamino)propanoic acid
Names & synonyms
3-phenyl-2-(2-pyridin-2-ylethoxycarbonylamino)propanoic acid87136-59-2NSC382312DTXSID50321853NSC-382312DS-014340N-{[2-(Pyridin-2-yl)ethoxy]carbonyl}phenylalanine
Database identifiers
- CAS
87136-59-2- PubChem CID
- 343205
- DTXSID
DTXSID50321853
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 88.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 383
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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