[((Benzyloxy)carbonyl]amino}pentanedioate
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Basic information
- Standard SMILES
O=C([O-])CCC(NC(=O)OCc1ccccc1)C(=O)[O-]- InChIKey
PVFCXMDXBIEMQG-UHFFFAOYSA-L- Molecular formula
- C13H13NO6-2
- Average molar mass
- 279.24 g/mol
Names & identifiers
- Preferred name
- [((Benzyloxy)carbonyl]amino}pentanedioate
- IUPAC
- 2-(phenylmethoxycarbonylamino)pentanedioate
Names & synonyms
PVFCXMDXBIEMQG-UHFFFAOYSA-L[((benzyloxy)carbonyl]amino}pentanedioate
Database identifiers
- PubChem CID
- 22017142
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- -2
- Complexity
- 340
Related reactions
1 records
Compound notes
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