Basic information
- Standard SMILES
CC(C)(C)C(=O)ONC(=O)OCc1ccccc1- InChIKey
MXVAHABYIOJEEE-UHFFFAOYSA-N- Molecular formula
- C13H17NO4
- Average molar mass
- 251.28 g/mol
- Monoisotopic mass
- 251.11575802
Names & identifiers
- Preferred name
- [(Benzyloxy)carbonyl]amino 2,2-dimethylpropanoate
- IUPAC
- phenylmethoxycarbonylamino 2,2-dimethylpropanoate
Names & synonyms
SCHEMBL1949474MXVAHABYIOJEEE-UHFFFAOYSA-N[(Benzyloxy)carbonyl]amino 2,2-dimethylpropanoate
Database identifiers
- PubChem CID
- 19909164
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 290
Related reactions
1 records
Compound notes
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