2-amino-4-[(4-aminobenzoyl)amino]benzoic acid

C14H13N3O3 — CID 131752767

IUPAC2-amino-4-[(4-aminobenzoyl)amino]benzoic acid
SMILESNc1ccc(C(=O)Nc2ccc(C(=O)O)c(N)c2)cc1
InChIInChI=1S/C14H13N3O3/c15-9-3-1-8(2-4-9)13(18)17-10-5-6-11(14(19)20)12(16)7-10/h1-7H,15-16H2,(H,17,18)(H,19,20)
InChIKeyGGUOSFAJMKBDFW-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.80
Rot. Bonds3

About 2-amino-4-[(4-aminobenzoyl)amino]benzoic acid

2-amino-4-[(4-aminobenzoyl)amino]benzoic acid (PubChem CID 131752767) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 2-amino-4-[(4-aminobenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name2-amino-4-[(4-aminobenzoyl)amino]benzoic acid
PubChem CID131752767
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name2-amino-4-[(4-aminobenzoyl)amino]benzoic acid
SMILESNc1ccc(C(=O)Nc2ccc(C(=O)O)c(N)c2)cc1
InChIInChI=1S/C14H13N3O3/c15-9-3-1-8(2-4-9)13(18)17-10-5-6-11(14(19)20)12(16)7-10/h1-7H,15-16H2,(H,17,18)(H,19,20)
InChIKeyGGUOSFAJMKBDFW-UHFFFAOYSA-N
XLogP1.80
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-amino-4-[(4-aminobenzoyl)amino]benzoic acid?
The IUPAC name of 2-amino-4-[(4-aminobenzoyl)amino]benzoic acid (CID 131752767) is 2-amino-4-[(4-aminobenzoyl)amino]benzoic acid.
What is the SMILES notation for 2-amino-4-[(4-aminobenzoyl)amino]benzoic acid?
The canonical SMILES for 2-amino-4-[(4-aminobenzoyl)amino]benzoic acid is Nc1ccc(C(=O)Nc2ccc(C(=O)O)c(N)c2)cc1.
What is the InChIKey of 2-amino-4-[(4-aminobenzoyl)amino]benzoic acid?
The InChIKey is GGUOSFAJMKBDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c15-9-3-1-8(2-4-9)13(18)17-10-5-6-11(14(19)20)12(16)7-10/h1-7H,15-16H2,(H,17,18)(H,19,20).
What are the key properties of 2-amino-4-[(4-aminobenzoyl)amino]benzoic acid?
2-amino-4-[(4-aminobenzoyl)amino]benzoic acid has a molecular weight of 271.28 g/mol, XLogP of 1.80, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[(4-aminobenzoyl)amino]benzoic acid is sourced from PubChem (CID 131752767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).