Basic information
- CAS
10290-63-8- Standard SMILES
N=C(N)c1ccc(CC(=O)C(=O)O)cc1- InChIKey
ZXBYWYQEQQBMBT-UHFFFAOYSA-N- Molecular formula
- C10H10N2O3
- Average molar mass
- 206.2 g/mol
- Monoisotopic mass
- 206.06914219
Names & identifiers
- Preferred name
- Amido Phenyl Pyruvic Acid
- IUPAC
- 3-(4-carbamimidoylphenyl)-2-oxopropanoic acid
Names & synonyms
amido phenyl pyruvic acid3-(4-carbamimidoylphenyl)-2-oxopropanoic acidRefChem:557160CHEMBL1231012p-amidinophenylpyruvic acidSCHEMBL1329642BDBM50010257DB02018NS00069060Q27093108
Database identifiers
- CAS
10290-63-8- PubChem CID
- 2138
- ChEMBL
CHEMBL1231012- Nikkaji
- J367.033C
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 280
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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