3-[[2-(3-aminophenyl)acetyl]amino]-4-hydroxybenzoic acid

C15H14N2O4 — CID 107265319

IUPAC3-[[2-(3-aminophenyl)acetyl]amino]-4-hydroxybenzoic acid
SMILESNc1cccc(CC(=O)Nc2cc(C(=O)O)ccc2O)c1
InChIInChI=1S/C15H14N2O4/c16-11-3-1-2-9(6-11)7-14(19)17-12-8-10(15(20)21)4-5-13(12)18/h1-6,8,18H,7,16H2,(H,17,19)(H,20,21)
InChIKeyZONXXPVHKODODM-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.85
Rot. Bonds4

About 3-[[2-(3-aminophenyl)acetyl]amino]-4-hydroxybenzoic acid

3-[[2-(3-aminophenyl)acetyl]amino]-4-hydroxybenzoic acid (PubChem CID 107265319) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 3-[[2-(3-aminophenyl)acetyl]amino]-4-hydroxybenzoic acid.

Molecular Properties

Compound Name3-[[2-(3-aminophenyl)acetyl]amino]-4-hydroxybenzoic acid
PubChem CID107265319
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name3-[[2-(3-aminophenyl)acetyl]amino]-4-hydroxybenzoic acid
SMILESNc1cccc(CC(=O)Nc2cc(C(=O)O)ccc2O)c1
InChIInChI=1S/C15H14N2O4/c16-11-3-1-2-9(6-11)7-14(19)17-12-8-10(15(20)21)4-5-13(12)18/h1-6,8,18H,7,16H2,(H,17,19)(H,20,21)
InChIKeyZONXXPVHKODODM-UHFFFAOYSA-N
XLogP1.85
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-aminophenyl)acetyl]amino]-4-hydroxybenzoic acid?
The IUPAC name of 3-[[2-(3-aminophenyl)acetyl]amino]-4-hydroxybenzoic acid (CID 107265319) is 3-[[2-(3-aminophenyl)acetyl]amino]-4-hydroxybenzoic acid.
What is the SMILES notation for 3-[[2-(3-aminophenyl)acetyl]amino]-4-hydroxybenzoic acid?
The canonical SMILES for 3-[[2-(3-aminophenyl)acetyl]amino]-4-hydroxybenzoic acid is Nc1cccc(CC(=O)Nc2cc(C(=O)O)ccc2O)c1.
What is the InChIKey of 3-[[2-(3-aminophenyl)acetyl]amino]-4-hydroxybenzoic acid?
The InChIKey is ZONXXPVHKODODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c16-11-3-1-2-9(6-11)7-14(19)17-12-8-10(15(20)21)4-5-13(12)18/h1-6,8,18H,7,16H2,(H,17,19)(H,20,21).
What are the key properties of 3-[[2-(3-aminophenyl)acetyl]amino]-4-hydroxybenzoic acid?
3-[[2-(3-aminophenyl)acetyl]amino]-4-hydroxybenzoic acid has a molecular weight of 286.29 g/mol, XLogP of 1.85, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-aminophenyl)acetyl]amino]-4-hydroxybenzoic acid is sourced from PubChem (CID 107265319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).