4-[(2,6-dihydroxybenzoyl)amino]-3-methylbenzoic acid

C15H13NO5 — CID 107687790

IUPAC4-[(2,6-dihydroxybenzoyl)amino]-3-methylbenzoic acid
SMILESCc1cc(C(=O)O)ccc1NC(=O)c1c(O)cccc1O
InChIInChI=1S/C15H13NO5/c1-8-7-9(15(20)21)5-6-10(8)16-14(19)13-11(17)3-2-4-12(13)18/h2-7,17-18H,1H3,(H,16,19)(H,20,21)
InChIKeyBUVWTXCCMNMHDF-UHFFFAOYSA-N
MW287.27 g/mol
LogP2.36
Rot. Bonds3

About 4-[(2,6-dihydroxybenzoyl)amino]-3-methylbenzoic acid

4-[(2,6-dihydroxybenzoyl)amino]-3-methylbenzoic acid (PubChem CID 107687790) has the molecular formula C15H13NO5 and a molecular weight of 287.27 g/mol. Its IUPAC name is 4-[(2,6-dihydroxybenzoyl)amino]-3-methylbenzoic acid.

Molecular Properties

Compound Name4-[(2,6-dihydroxybenzoyl)amino]-3-methylbenzoic acid
PubChem CID107687790
Molecular FormulaC15H13NO5
Molecular Weight287.27 g/mol
Exact Mass287.08
IUPAC Name4-[(2,6-dihydroxybenzoyl)amino]-3-methylbenzoic acid
SMILESCc1cc(C(=O)O)ccc1NC(=O)c1c(O)cccc1O
InChIInChI=1S/C15H13NO5/c1-8-7-9(15(20)21)5-6-10(8)16-14(19)13-11(17)3-2-4-12(13)18/h2-7,17-18H,1H3,(H,16,19)(H,20,21)
InChIKeyBUVWTXCCMNMHDF-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

3-amino-4-[(2,6-dihydroxybenzoyl)amino]benzoic acid
CID 107687661
3-methyl-4-[(4-methylbenzoyl)amino]benzoic acid
CID 16777399
2,6-dihydroxy-N-(2-methylphenyl)benzamide
CID 113347043
4-[(6-chloropyridine-2-carbonyl)amino]-3-methylbenzoic acid
CID 62239229
4-[(2,6-dichlorobenzoyl)amino]-3-hydroxybenzoic acid
CID 60825182
4-[(5-iodothiophene-3-carbonyl)amino]-3-methylbenzoic acid
CID 79685348
4-[(2-chloro-5-hydroxybenzoyl)amino]-3-methylbenzoic acid
CID 106500177
3-methyl-4-(pyridazine-4-carbonylamino)benzoic acid
CID 113352863
4-[[4-(chloromethyl)benzoyl]amino]-3-methylbenzoic acid
CID 43701836
3-[(4-fluoro-2-methylphenyl)carbamoyl]benzoic acid
CID 43452888
4-[(2-fluoro-4-hydroxybenzoyl)amino]-3-methylbenzoic acid
CID 107674680
3-[(4-hydroxy-3-methylbenzoyl)amino]-4-methylbenzoic acid
CID 107674655

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dihydroxybenzoyl)amino]-3-methylbenzoic acid?
The IUPAC name of 4-[(2,6-dihydroxybenzoyl)amino]-3-methylbenzoic acid (CID 107687790) is 4-[(2,6-dihydroxybenzoyl)amino]-3-methylbenzoic acid.
What is the SMILES notation for 4-[(2,6-dihydroxybenzoyl)amino]-3-methylbenzoic acid?
The canonical SMILES for 4-[(2,6-dihydroxybenzoyl)amino]-3-methylbenzoic acid is Cc1cc(C(=O)O)ccc1NC(=O)c1c(O)cccc1O.
What is the InChIKey of 4-[(2,6-dihydroxybenzoyl)amino]-3-methylbenzoic acid?
The InChIKey is BUVWTXCCMNMHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO5/c1-8-7-9(15(20)21)5-6-10(8)16-14(19)13-11(17)3-2-4-12(13)18/h2-7,17-18H,1H3,(H,16,19)(H,20,21).
What are the key properties of 4-[(2,6-dihydroxybenzoyl)amino]-3-methylbenzoic acid?
4-[(2,6-dihydroxybenzoyl)amino]-3-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 4-[(2,6-dihydroxybenzoyl)amino]-3-methylbenzoic acid is sourced from PubChem (CID 107687790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).