2-[[(4-anilinophenyl)diazenyl]-methylamino]acetic acid

C15H16N4O2 — CID 58675625

IUPAC2-[[(4-anilinophenyl)diazenyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)/N=N/c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C15H16N4O2/c1-19(11-15(20)21)18-17-14-9-7-13(8-10-14)16-12-5-3-2-4-6-12/h2-10,16H,11H2,1H3,(H,20,21)/b18-17+
InChIKeyXHTJKMJGNSWEKX-ISLYRVAYSA-N
MW284.32 g/mol
LogP3.45
Rot. Bonds6

About 2-[[(4-anilinophenyl)diazenyl]-methylamino]acetic acid

2-[[(4-anilinophenyl)diazenyl]-methylamino]acetic acid (PubChem CID 58675625) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-[[(4-anilinophenyl)diazenyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[(4-anilinophenyl)diazenyl]-methylamino]acetic acid
PubChem CID58675625
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name2-[[(4-anilinophenyl)diazenyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)/N=N/c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C15H16N4O2/c1-19(11-15(20)21)18-17-14-9-7-13(8-10-14)16-12-5-3-2-4-6-12/h2-10,16H,11H2,1H3,(H,20,21)/b18-17+
InChIKeyXHTJKMJGNSWEKX-ISLYRVAYSA-N
XLogP3.45
TPSA77.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[[(4-anilinophenyl)diazenyl]-methylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-anilinophenyl)diazenyl]-methylamino]acetic acid?
The IUPAC name of 2-[[(4-anilinophenyl)diazenyl]-methylamino]acetic acid (CID 58675625) is 2-[[(4-anilinophenyl)diazenyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[(4-anilinophenyl)diazenyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[(4-anilinophenyl)diazenyl]-methylamino]acetic acid is CN(CC(=O)O)/N=N/c1ccc(Nc2ccccc2)cc1.
What is the InChIKey of 2-[[(4-anilinophenyl)diazenyl]-methylamino]acetic acid?
The InChIKey is XHTJKMJGNSWEKX-ISLYRVAYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-19(11-15(20)21)18-17-14-9-7-13(8-10-14)16-12-5-3-2-4-6-12/h2-10,16H,11H2,1H3,(H,20,21)/b18-17+.
What are the key properties of 2-[[(4-anilinophenyl)diazenyl]-methylamino]acetic acid?
2-[[(4-anilinophenyl)diazenyl]-methylamino]acetic acid has a molecular weight of 284.32 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-anilinophenyl)diazenyl]-methylamino]acetic acid is sourced from PubChem (CID 58675625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).