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

C16H15NO4 — CID 82808720

IUPAC3-[[(3-hydroxy-2-methylbenzoyl)amino]methyl]benzoic acid
SMILESCc1c(O)cccc1C(=O)NCc1cccc(C(=O)O)c1
InChIInChI=1S/C16H15NO4/c1-10-13(6-3-7-14(10)18)15(19)17-9-11-4-2-5-12(8-11)16(20)21/h2-8,18H,9H2,1H3,(H,17,19)(H,20,21)
InChIKeyGWLLWLYCDVSTAR-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.33
Rot. Bonds4

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

3-[[(3-hydroxy-2-methylbenzoyl)amino]methyl]benzoic acid (PubChem CID 82808720) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 3-[[(3-hydroxy-2-methylbenzoyl)amino]methyl]benzoic acid.

Molecular Properties

Compound Name3-[[(3-hydroxy-2-methylbenzoyl)amino]methyl]benzoic acid
PubChem CID82808720
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name3-[[(3-hydroxy-2-methylbenzoyl)amino]methyl]benzoic acid
SMILESCc1c(O)cccc1C(=O)NCc1cccc(C(=O)O)c1
InChIInChI=1S/C16H15NO4/c1-10-13(6-3-7-14(10)18)15(19)17-9-11-4-2-5-12(8-11)16(20)21/h2-8,18H,9H2,1H3,(H,17,19)(H,20,21)
InChIKeyGWLLWLYCDVSTAR-UHFFFAOYSA-N
XLogP2.33
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-fluorophenyl)methyl]-3-hydroxy-2-methylbenzamide
CID 82795234
3-(benzamidomethyl)benzoic acid;ethane
CID 90875099
3-[[(4-fluoro-2-hydroxybenzoyl)amino]methyl]benzoic acid
CID 107013440
3-[[(3,4-dihydroxybenzoyl)amino]methyl]benzoic acid
CID 107728027
3-[[[2-(2-hydroxyphenyl)acetyl]amino]methyl]benzoic acid
CID 80722615
3-[[(3-fluorobenzoyl)amino]methyl]benzoic acid
CID 60893305
3-[[[3-(carboxymethyl)-2,5-dihydroxybenzoyl]amino]methyl]benzoic acid
CID 156760560
3-[[[2-(3-methylphenyl)acetyl]amino]methyl]benzoic acid
CID 62388861
3-[[(2,3,4-trifluorobenzoyl)amino]methyl]benzoic acid
CID 84761710
3-[[(4-methyl-3,5-dinitrobenzoyl)amino]methyl]benzoic acid
CID 108745394
2,3-dihydroxy-N-[(3-methylphenyl)methyl]benzamide
CID 114343999
N-(furan-3-ylmethyl)-3-hydroxy-2-methylbenzamide
CID 113342680

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-hydroxy-2-methylbenzoyl)amino]methyl]benzoic acid?
The IUPAC name of 3-[[(3-hydroxy-2-methylbenzoyl)amino]methyl]benzoic acid (CID 82808720) is 3-[[(3-hydroxy-2-methylbenzoyl)amino]methyl]benzoic acid.
What is the SMILES notation for 3-[[(3-hydroxy-2-methylbenzoyl)amino]methyl]benzoic acid?
The canonical SMILES for 3-[[(3-hydroxy-2-methylbenzoyl)amino]methyl]benzoic acid is Cc1c(O)cccc1C(=O)NCc1cccc(C(=O)O)c1.
What is the InChIKey of 3-[[(3-hydroxy-2-methylbenzoyl)amino]methyl]benzoic acid?
The InChIKey is GWLLWLYCDVSTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-10-13(6-3-7-14(10)18)15(19)17-9-11-4-2-5-12(8-11)16(20)21/h2-8,18H,9H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 3-[[(3-hydroxy-2-methylbenzoyl)amino]methyl]benzoic acid?
3-[[(3-hydroxy-2-methylbenzoyl)amino]methyl]benzoic acid has a molecular weight of 285.30 g/mol, XLogP of 2.33, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-hydroxy-2-methylbenzoyl)amino]methyl]benzoic acid is sourced from PubChem (CID 82808720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).