2-[(3-hydroxybenzoyl)amino]-5-methoxybenzoic acid

C15H13NO5 — CID 115410948

IUPAC2-[(3-hydroxybenzoyl)amino]-5-methoxybenzoic acid
SMILESCOc1ccc(NC(=O)c2cccc(O)c2)c(C(=O)O)c1
InChIInChI=1S/C15H13NO5/c1-21-11-5-6-13(12(8-11)15(19)20)16-14(18)9-3-2-4-10(17)7-9/h2-8,17H,1H3,(H,16,18)(H,19,20)
InChIKeyXMHNDUBBJYLNKG-UHFFFAOYSA-N
MW287.27 g/mol
LogP2.35
Rot. Bonds4

About 2-[(3-hydroxybenzoyl)amino]-5-methoxybenzoic acid

2-[(3-hydroxybenzoyl)amino]-5-methoxybenzoic acid (PubChem CID 115410948) has the molecular formula C15H13NO5 and a molecular weight of 287.27 g/mol. Its IUPAC name is 2-[(3-hydroxybenzoyl)amino]-5-methoxybenzoic acid.

Molecular Properties

Compound Name2-[(3-hydroxybenzoyl)amino]-5-methoxybenzoic acid
PubChem CID115410948
Molecular FormulaC15H13NO5
Molecular Weight287.27 g/mol
Exact Mass287.08
IUPAC Name2-[(3-hydroxybenzoyl)amino]-5-methoxybenzoic acid
SMILESCOc1ccc(NC(=O)c2cccc(O)c2)c(C(=O)O)c1
InChIInChI=1S/C15H13NO5/c1-21-11-5-6-13(12(8-11)15(19)20)16-14(18)9-3-2-4-10(17)7-9/h2-8,17H,1H3,(H,16,18)(H,19,20)
InChIKeyXMHNDUBBJYLNKG-UHFFFAOYSA-N
XLogP2.35
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethoxyphenyl)-3-hydroxybenzamide
CID 19256865
2-[(3-hydroxybenzoyl)amino]-5-methylbenzoic acid
CID 24700759
2-hydroxy-3-[(3-methoxybenzoyl)amino]benzoic acid
CID 104832964
2-[(3-chlorobenzoyl)amino]-5-[4-(4-methoxyphenyl)piperazin-1-yl]benzoic acid
CID 50782249
3-hydroxy-4-[(3-methoxybenzoyl)amino]benzoic acid
CID 60827348
2-[(5-fluoropyridine-3-carbonyl)amino]-5-methoxybenzoic acid
CID 104785687
2-[(2-bromofuran-3-carbonyl)amino]-5-methoxybenzoic acid
CID 106851150
5-methoxy-2-(phenoxycarbonylamino)benzoic acid
CID 115411200
2-[(4-methoxybenzoyl)amino]benzoic acid
CID 721421
2-[(3-methoxybenzoyl)amino]-N-(3-methoxyphenyl)benzamide
CID 51154923
3-chloro-2-[(3-methoxybenzoyl)amino]benzoic acid
CID 107046812
5-methoxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid
CID 78980914

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxybenzoyl)amino]-5-methoxybenzoic acid?
The IUPAC name of 2-[(3-hydroxybenzoyl)amino]-5-methoxybenzoic acid (CID 115410948) is 2-[(3-hydroxybenzoyl)amino]-5-methoxybenzoic acid.
What is the SMILES notation for 2-[(3-hydroxybenzoyl)amino]-5-methoxybenzoic acid?
The canonical SMILES for 2-[(3-hydroxybenzoyl)amino]-5-methoxybenzoic acid is COc1ccc(NC(=O)c2cccc(O)c2)c(C(=O)O)c1.
What is the InChIKey of 2-[(3-hydroxybenzoyl)amino]-5-methoxybenzoic acid?
The InChIKey is XMHNDUBBJYLNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO5/c1-21-11-5-6-13(12(8-11)15(19)20)16-14(18)9-3-2-4-10(17)7-9/h2-8,17H,1H3,(H,16,18)(H,19,20).
What are the key properties of 2-[(3-hydroxybenzoyl)amino]-5-methoxybenzoic acid?
2-[(3-hydroxybenzoyl)amino]-5-methoxybenzoic acid has a molecular weight of 287.27 g/mol, XLogP of 2.35, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxybenzoyl)amino]-5-methoxybenzoic acid is sourced from PubChem (CID 115410948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).