Basic information
- Standard SMILES
NN=Cc1ccc(NC(=O)C2CC2C(=O)O)cc1- InChIKey
XPBOITFWDUZCEP-UHFFFAOYSA-N- Molecular formula
- C12H13N3O3
- Average molar mass
- 247.25 g/mol
Names & identifiers
- Preferred name
- 2-[[[4-(Aminoiminomethyl)phenyl]amino]carbonyl]cyclopropyl-carboxylic acid
- IUPAC
- 2-[(4-methanehydrazonoylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
Names & synonyms
SCHEMBL6972945XPBOITFWDUZCEP-UHFFFAOYSA-N2-[[[4-(aminoiminomethyl)phenyl]amino]carbonyl]cyclopropyl-carboxylic acid
Database identifiers
- PubChem CID
- 69949286
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 362
Related reactions
2 records
Compound notes
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