Basic information
- Standard SMILES
Nc1cc(C(=O)O)ccc1NC1CCOCC1- InChIKey
CXRZFBGEWWPCCK-UHFFFAOYSA-N- Molecular formula
- C12H16N2O3
- Average molar mass
- 236.27 g/mol
Names & identifiers
- Preferred name
- 3-Amino-4-((tetrahydropyran-4-yl)amino)benzoic acid
- IUPAC
- 3-amino-4-(oxan-4-ylamino)benzoic acid
Names & synonyms
3-amino-4-((tetrahydropyran-4-yl)amino)benzoic acidSCHEMBL2687011CXRZFBGEWWPCCK-UHFFFAOYSA-NAKOS005795281
Database identifiers
- PubChem CID
- 54888048
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 84.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 266
Related reactions
3 records
Compound notes
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