2-[(3,5-dihydroxybenzoyl)amino]-5-methylbenzoic acid

C15H13NO5 — CID 107702371

IUPAC2-[(3,5-dihydroxybenzoyl)amino]-5-methylbenzoic acid
SMILESCc1ccc(NC(=O)c2cc(O)cc(O)c2)c(C(=O)O)c1
InChIInChI=1S/C15H13NO5/c1-8-2-3-13(12(4-8)15(20)21)16-14(19)9-5-10(17)7-11(18)6-9/h2-7,17-18H,1H3,(H,16,19)(H,20,21)
InChIKeyCERLRLDLDFEALC-UHFFFAOYSA-N
MW287.27 g/mol
LogP2.36
Rot. Bonds3

About 2-[(3,5-dihydroxybenzoyl)amino]-5-methylbenzoic acid

2-[(3,5-dihydroxybenzoyl)amino]-5-methylbenzoic acid (PubChem CID 107702371) has the molecular formula C15H13NO5 and a molecular weight of 287.27 g/mol. Its IUPAC name is 2-[(3,5-dihydroxybenzoyl)amino]-5-methylbenzoic acid.

Molecular Properties

Compound Name2-[(3,5-dihydroxybenzoyl)amino]-5-methylbenzoic acid
PubChem CID107702371
Molecular FormulaC15H13NO5
Molecular Weight287.27 g/mol
Exact Mass287.08
IUPAC Name2-[(3,5-dihydroxybenzoyl)amino]-5-methylbenzoic acid
SMILESCc1ccc(NC(=O)c2cc(O)cc(O)c2)c(C(=O)O)c1
InChIInChI=1S/C15H13NO5/c1-8-2-3-13(12(4-8)15(20)21)16-14(19)9-5-10(17)7-11(18)6-9/h2-7,17-18H,1H3,(H,16,19)(H,20,21)
InChIKeyCERLRLDLDFEALC-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

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Related Compounds

2-[(3-hydroxybenzoyl)amino]-5-methylbenzoic acid
CID 24700759
5-methyl-2-(pyridine-4-carbonylamino)benzoic acid
CID 24701556
5-bromo-2-[(3,5-dihydroxybenzoyl)amino]benzoic acid
CID 107702530
5-methyl-2-[(6-methylpyridine-3-carbonyl)amino]benzoic acid
CID 24702059
5-methyl-2-[(2-methylpyridine-4-carbonyl)amino]benzoic acid
CID 106752492
2-[(2-fluoro-5-methylbenzoyl)amino]-5-methylbenzoic acid
CID 62515827
5-methyl-2-[(2-methylbenzoyl)amino]benzoic acid
CID 21232994
2-[(2-fluoro-5-methylbenzoyl)amino]-5-hydroxybenzoic acid
CID 62514253
2-[(5-aminopyridine-3-carbonyl)amino]-5-methylbenzoic acid
CID 110488447
2-[(3-amino-4-bromobenzoyl)amino]-5-methylbenzoic acid
CID 107812978
ethane;5-methyl-2-(naphthalene-1-carbonylamino)benzoic acid
CID 143144416
2-[(3-acetyloxybenzoyl)amino]-5-methylbenzoic acid
CID 142866220

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dihydroxybenzoyl)amino]-5-methylbenzoic acid?
The IUPAC name of 2-[(3,5-dihydroxybenzoyl)amino]-5-methylbenzoic acid (CID 107702371) is 2-[(3,5-dihydroxybenzoyl)amino]-5-methylbenzoic acid.
What is the SMILES notation for 2-[(3,5-dihydroxybenzoyl)amino]-5-methylbenzoic acid?
The canonical SMILES for 2-[(3,5-dihydroxybenzoyl)amino]-5-methylbenzoic acid is Cc1ccc(NC(=O)c2cc(O)cc(O)c2)c(C(=O)O)c1.
What is the InChIKey of 2-[(3,5-dihydroxybenzoyl)amino]-5-methylbenzoic acid?
The InChIKey is CERLRLDLDFEALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO5/c1-8-2-3-13(12(4-8)15(20)21)16-14(19)9-5-10(17)7-11(18)6-9/h2-7,17-18H,1H3,(H,16,19)(H,20,21).
What are the key properties of 2-[(3,5-dihydroxybenzoyl)amino]-5-methylbenzoic acid?
2-[(3,5-dihydroxybenzoyl)amino]-5-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-[(3,5-dihydroxybenzoyl)amino]-5-methylbenzoic acid is sourced from PubChem (CID 107702371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).