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Basic information
- Standard SMILES
CC(C)(C)OC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)O- InChIKey
OOXDZWWHAPWHLG-FNORWQNLSA-N- Molecular formula
- C14H16ClNO4
- Average molar mass
- 297.73 g/mol
- Monoisotopic mass
- 297.0767857
Names & identifiers
- Preferred name
- 3-(2-{[(Tert-butoxy)carbonyl]amino}-4-chlorophenyl)prop-2-enoic acid
- IUPAC
- (E)-3-[4-chloro-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]prop-2-enoic acid
Names & synonyms
3-(2-{[(tert-butoxy)carbonyl]amino}-4-chlorophenyl)prop-2-enoic acid685534-22-9SCHEMBL3178609OOXDZWWHAPWHLG-FNORWQNLSA-NEN300-1877849(E)-3-(2-tert-Butoxycarbonylamino-4-chlorophenyl)-acrylic acid
Database identifiers
- PubChem CID
- 11630775
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 389
Related reactions
4 records
Compound notes
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