2-[(2,3-dihydroxybenzoyl)amino]-6-methylbenzoic acid

C15H13NO5 — CID 114343361

IUPAC2-[(2,3-dihydroxybenzoyl)amino]-6-methylbenzoic acid
SMILESCc1cccc(NC(=O)c2cccc(O)c2O)c1C(=O)O
InChIInChI=1S/C15H13NO5/c1-8-4-2-6-10(12(8)15(20)21)16-14(19)9-5-3-7-11(17)13(9)18/h2-7,17-18H,1H3,(H,16,19)(H,20,21)
InChIKeyMQCZZSJZXNCOMM-UHFFFAOYSA-N
MW287.27 g/mol
LogP2.36
Rot. Bonds3

About 2-[(2,3-dihydroxybenzoyl)amino]-6-methylbenzoic acid

2-[(2,3-dihydroxybenzoyl)amino]-6-methylbenzoic acid (PubChem CID 114343361) has the molecular formula C15H13NO5 and a molecular weight of 287.27 g/mol. Its IUPAC name is 2-[(2,3-dihydroxybenzoyl)amino]-6-methylbenzoic acid.

Molecular Properties

Compound Name2-[(2,3-dihydroxybenzoyl)amino]-6-methylbenzoic acid
PubChem CID114343361
Molecular FormulaC15H13NO5
Molecular Weight287.27 g/mol
Exact Mass287.08
IUPAC Name2-[(2,3-dihydroxybenzoyl)amino]-6-methylbenzoic acid
SMILESCc1cccc(NC(=O)c2cccc(O)c2O)c1C(=O)O
InChIInChI=1S/C15H13NO5/c1-8-4-2-6-10(12(8)15(20)21)16-14(19)9-5-3-7-11(17)13(9)18/h2-7,17-18H,1H3,(H,16,19)(H,20,21)
InChIKeyMQCZZSJZXNCOMM-UHFFFAOYSA-N
XLogP2.36
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 52.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-[(3-hydroxy-2-methylbenzoyl)amino]-6-methylbenzoic acid
CID 82810542
2-[(2-fluoro-6-hydroxybenzoyl)amino]-6-methylbenzoic acid
CID 107013606
2-acetamido-6-methylbenzoic acid
CID 2801400
2-[(2-bromo-4-chlorobenzoyl)amino]-6-methylbenzoic acid
CID 107986716
2-[(2,6-dimethylbenzoyl)amino]benzoic acid
CID 107999955
2-[(3,6-dimethylpyridazine-4-carbonyl)amino]-6-methylbenzoic acid
CID 104669683
2-[(3,5-dibromobenzoyl)amino]-6-methylbenzoic acid
CID 107971461
2-methyl-6-(pyrimidine-5-carbonylamino)benzoic acid
CID 102921528
N-(5-bromo-2-methylphenyl)-2,3-dihydroxybenzamide
CID 114343683
3-hydroxy-2-methyl-N-(2-methylphenyl)benzamide
CID 82786919
2-(ethylamino)-6-methylbenzoic acid
CID 13478134
N-(2,3-difluorophenyl)-2,3-dihydroxybenzamide
CID 114344008

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dihydroxybenzoyl)amino]-6-methylbenzoic acid?
The IUPAC name of 2-[(2,3-dihydroxybenzoyl)amino]-6-methylbenzoic acid (CID 114343361) is 2-[(2,3-dihydroxybenzoyl)amino]-6-methylbenzoic acid.
What is the SMILES notation for 2-[(2,3-dihydroxybenzoyl)amino]-6-methylbenzoic acid?
The canonical SMILES for 2-[(2,3-dihydroxybenzoyl)amino]-6-methylbenzoic acid is Cc1cccc(NC(=O)c2cccc(O)c2O)c1C(=O)O.
What is the InChIKey of 2-[(2,3-dihydroxybenzoyl)amino]-6-methylbenzoic acid?
The InChIKey is MQCZZSJZXNCOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO5/c1-8-4-2-6-10(12(8)15(20)21)16-14(19)9-5-3-7-11(17)13(9)18/h2-7,17-18H,1H3,(H,16,19)(H,20,21).
What are the key properties of 2-[(2,3-dihydroxybenzoyl)amino]-6-methylbenzoic acid?
2-[(2,3-dihydroxybenzoyl)amino]-6-methylbenzoic acid has a molecular weight of 287.27 g/mol, XLogP of 2.36, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dihydroxybenzoyl)amino]-6-methylbenzoic acid is sourced from PubChem (CID 114343361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).