2-[[4-(1-Carboxyethylimino)cyclohexa-2,5-dien-1-ylidene]amino]propanoic acid
Basic information
- CAS
76435-53-5- Standard SMILES
CC(N=C1C=CC(=NC(C)C(=O)O)C=C1)C(=O)O- InChIKey
FPERDOHNEFDJEF-UHFFFAOYSA-N- Molecular formula
- C12H14N2O4
- Average molar mass
- 250.25 g/mol
- Monoisotopic mass
- 250.09535693
Names & identifiers
- Preferred name
- 2-[[4-(1-Carboxyethylimino)cyclohexa-2,5-dien-1-ylidene]amino]propanoic acid
- IUPAC
- 2-[[4-(1-carboxyethylimino)cyclohexa-2,5-dien-1-ylidene]amino]propanoic acid
Names & synonyms
76435-53-5NSC353482DTXSID70319994NSC-3534822,2'-{Cyclohexa-2,5-diene-1,4-diylidenebis[(E)-azanylylidene]}dipropanoic acid2,2'-{Cyclohexa-2,5-diene-1,4-diylidenebis[(E)azanylylidene]}dipropanoic acid
Database identifiers
- CAS
76435-53-5- PubChem CID
- 337004
- DTXSID
DTXSID70319994
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 99.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 414
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Related reactions
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Compound notes
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