Basic information
- CAS
840454-25-3- Standard SMILES
NCc1ccc(NC(=O)C(=O)O)cc1- InChIKey
RKILOCCSAVHHJT-UHFFFAOYSA-N- Molecular formula
- C9H10N2O3
- Average molar mass
- 194.19 g/mol
- Monoisotopic mass
- 194.06914219
Names & identifiers
- Preferred name
- [[4-(Aminomethyl)Phenyl]Amino]Oxo-Acetic Acid,
- IUPAC
- 2-[4-(aminomethyl)anilino]-2-oxoacetic acid
Names & synonyms
[[4-(AMINOMETHYL)PHENYL]AMINO]OXO-ACETIC ACID,840454-25-3DTXSID60332298{[4-(aminomethyl)phenyl]carbamoyl}formic acid((4-(aminomethyl)phenyl)carbamoyl)formic acid((4-(AMINOMETHYL)PHENYL)AMINO)OXO-ACETIC ACID,RefChem:67100DTXCID002833911waxLO1CHEMBL426815SCHEMBL4317924
Show more names
DB02420[4-(Aminomethyl)anilino](oxo)acetic acidPD008347NS00070286{[4-(aminomethyl)phenyl]amino}(oxo)acetic acidQ27093420
Database identifiers
- CAS
840454-25-3- PubChem CID
- 449125
- DTXSID
DTXSID60332298- ChEMBL
CHEMBL426815
Properties
Computed structural properties
- XLogP
- -2.4
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 222
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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