Basic information
- Standard SMILES
CC(=O)Nc1ccc(C(=O)O)cc1N- InChIKey
MJMLUICFHWSBQZ-UHFFFAOYSA-N- Molecular formula
- C9H10N2O3
- Average molar mass
- 194.19 g/mol
Overview
an aromatic inhibitor of influenza virus neuraminidase; structure given in first source
Names & identifiers
- Preferred name
- 4-(Acetylamino)-3-aminobenzoic acid
- IUPAC
- 4-acetamido-3-aminobenzoic acid
Names & synonyms
4-(Acetylamino)-3-aminobenzoic acidBANA108BANA 108RefChem:5149304-(Acetylamino)-3-Amino Benzoic Acid3-amino-4-acetamidobenzoic acid4-acetamido-3-aminobenzoic acidCHEMBL10916253484-10-9BDBM5274SCHEMBL23449974-acetamido-3-amino-benzoic acid
Show more names
4-Acetylamino-3-amino-benzoic acidAKOS012418429DB02268HS-3486PD008089ST3DB-106109NS00069093
Database identifiers
- PubChem CID
- 446367
- ChEMBL
CHEMBL109162- Nikkaji
- J677.604C
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 242
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Related reactions
1 records
Compound notes
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