5-amino-2-[(3-hydroxy-2-methylbenzoyl)amino]benzoic acid

C15H14N2O4 — CID 82808977

IUPAC5-amino-2-[(3-hydroxy-2-methylbenzoyl)amino]benzoic acid
SMILESCc1c(O)cccc1C(=O)Nc1ccc(N)cc1C(=O)O
InChIInChI=1S/C15H14N2O4/c1-8-10(3-2-4-13(8)18)14(19)17-12-6-5-9(16)7-11(12)15(20)21/h2-7,18H,16H2,1H3,(H,17,19)(H,20,21)
InChIKeyIFYLEYMAWSGUGD-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.23
Rot. Bonds3

About 5-amino-2-[(3-hydroxy-2-methylbenzoyl)amino]benzoic acid

5-amino-2-[(3-hydroxy-2-methylbenzoyl)amino]benzoic acid (PubChem CID 82808977) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 5-amino-2-[(3-hydroxy-2-methylbenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name5-amino-2-[(3-hydroxy-2-methylbenzoyl)amino]benzoic acid
PubChem CID82808977
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name5-amino-2-[(3-hydroxy-2-methylbenzoyl)amino]benzoic acid
SMILESCc1c(O)cccc1C(=O)Nc1ccc(N)cc1C(=O)O
InChIInChI=1S/C15H14N2O4/c1-8-10(3-2-4-13(8)18)14(19)17-12-6-5-9(16)7-11(12)15(20)21/h2-7,18H,16H2,1H3,(H,17,19)(H,20,21)
InChIKeyIFYLEYMAWSGUGD-UHFFFAOYSA-N
XLogP2.23
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-[(2,3-dihydroxybenzoyl)amino]benzoic acid
CID 114343199
5-amino-2-[(2-chlorobenzoyl)amino]benzoic acid
CID 63115639
2-[(2,3-dimethylbenzoyl)amino]-5-hydroxybenzoic acid
CID 61405897
5-amino-2-[(2,5-dimethylbenzoyl)amino]benzoic acid
CID 63115622
N-(4-amino-2,5-dimethylphenyl)-3-hydroxy-2-methylbenzamide
CID 103144449
5-amino-2-[(2-bromo-5-methylbenzoyl)amino]benzoic acid
CID 81111004
5-amino-2-(methylamino)benzoic acid
CID 19006283
N-(4-amino-2-chlorophenyl)-2,3-dimethylbenzamide
CID 16788699
2-[(3-hydroxy-2-methylbenzoyl)amino]-6-methylbenzoic acid
CID 82810542
N-(3-amino-5-fluorophenyl)-3-hydroxy-2-methylbenzamide
CID 107333857
2-fluoro-4-[(3-hydroxy-2-methylbenzoyl)amino]benzoic acid
CID 107793042
N-(4-amino-2-methylphenyl)-2-iodo-3-methylbenzamide
CID 103807583

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(3-hydroxy-2-methylbenzoyl)amino]benzoic acid?
The IUPAC name of 5-amino-2-[(3-hydroxy-2-methylbenzoyl)amino]benzoic acid (CID 82808977) is 5-amino-2-[(3-hydroxy-2-methylbenzoyl)amino]benzoic acid.
What is the SMILES notation for 5-amino-2-[(3-hydroxy-2-methylbenzoyl)amino]benzoic acid?
The canonical SMILES for 5-amino-2-[(3-hydroxy-2-methylbenzoyl)amino]benzoic acid is Cc1c(O)cccc1C(=O)Nc1ccc(N)cc1C(=O)O.
What is the InChIKey of 5-amino-2-[(3-hydroxy-2-methylbenzoyl)amino]benzoic acid?
The InChIKey is IFYLEYMAWSGUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-8-10(3-2-4-13(8)18)14(19)17-12-6-5-9(16)7-11(12)15(20)21/h2-7,18H,16H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 5-amino-2-[(3-hydroxy-2-methylbenzoyl)amino]benzoic acid?
5-amino-2-[(3-hydroxy-2-methylbenzoyl)amino]benzoic acid has a molecular weight of 286.29 g/mol, XLogP of 2.23, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(3-hydroxy-2-methylbenzoyl)amino]benzoic acid is sourced from PubChem (CID 82808977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).