1-(4-Aminophenyl)-1,2-cyclopropanedicarboxylic acid

HCID 20038043

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: Nc1ccc(C2(C(=O)O)CC2C(=O)O)cc1
InChIKey: NIIIGIWICMMSOU-UHFFFAOYSA-N
Molecular formula: C11H11NO4
Average molar mass: 221.21 g/mol
Monoisotopic mass: 221.06880783

Names & identifiers

Preferred name: 1-(4-Aminophenyl)-1,2-cyclopropanedicarboxylic acid
IUPAC: 1-(4-aminophenyl)cyclopropane-1,2-dicarboxylic acid

Names & synonyms

SCHEMBL10532363NIIIGIWICMMSOU-UHFFFAOYSA-N1-(4-aminophenyl)-1,2-cyclopropanedicarboxylic acid

Database identifiers

PubChem CID: 20038043

Properties

Computed structural properties

XLogP: 0.2
Topological polar surface area: 101 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 16
Formal charge: 0
Complexity: 322

Related reactions

7 records

New reaction record

HRID 149590As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 1202626As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1904789As reactantuspto-grants-1989_06

HRID 1904790As productuspto-grants-1989_06

HRID 1904791As reactantuspto-grants-1989_06

HRID 1904792As productuspto-grants-1989_06

HRID 2333854As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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