2-[2-(4-aminophenyl)anilino]acetic acid

C14H14N2O2 — CID 22051456

IUPAC2-[2-(4-aminophenyl)anilino]acetic acid
SMILESNc1ccc(-c2ccccc2NCC(=O)O)cc1
InChIInChI=1S/C14H14N2O2/c15-11-7-5-10(6-8-11)12-3-1-2-4-13(12)16-9-14(17)18/h1-8,16H,9,15H2,(H,17,18)
InChIKeyYPUPTOYQWZAUSZ-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.43
Rot. Bonds4

About 2-[2-(4-aminophenyl)anilino]acetic acid

2-[2-(4-aminophenyl)anilino]acetic acid (PubChem CID 22051456) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-[2-(4-aminophenyl)anilino]acetic acid.

Molecular Properties

Compound Name2-[2-(4-aminophenyl)anilino]acetic acid
PubChem CID22051456
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name2-[2-(4-aminophenyl)anilino]acetic acid
SMILESNc1ccc(-c2ccccc2NCC(=O)O)cc1
InChIInChI=1S/C14H14N2O2/c15-11-7-5-10(6-8-11)12-3-1-2-4-13(12)16-9-14(17)18/h1-8,16H,9,15H2,(H,17,18)
InChIKeyYPUPTOYQWZAUSZ-UHFFFAOYSA-N
XLogP2.43
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-aminophenyl)anilino]acetic acid?
The IUPAC name of 2-[2-(4-aminophenyl)anilino]acetic acid (CID 22051456) is 2-[2-(4-aminophenyl)anilino]acetic acid.
What is the SMILES notation for 2-[2-(4-aminophenyl)anilino]acetic acid?
The canonical SMILES for 2-[2-(4-aminophenyl)anilino]acetic acid is Nc1ccc(-c2ccccc2NCC(=O)O)cc1.
What is the InChIKey of 2-[2-(4-aminophenyl)anilino]acetic acid?
The InChIKey is YPUPTOYQWZAUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c15-11-7-5-10(6-8-11)12-3-1-2-4-13(12)16-9-14(17)18/h1-8,16H,9,15H2,(H,17,18).
What are the key properties of 2-[2-(4-aminophenyl)anilino]acetic acid?
2-[2-(4-aminophenyl)anilino]acetic acid has a molecular weight of 242.28 g/mol, XLogP of 2.43, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-aminophenyl)anilino]acetic acid is sourced from PubChem (CID 22051456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).