4-methoxy-3-[(6-oxopyran-3-carbonyl)amino]benzoic acid

C14H11NO6 — CID 63744614

IUPAC4-methoxy-3-[(6-oxopyran-3-carbonyl)amino]benzoic acid
SMILESCOc1ccc(C(=O)O)cc1NC(=O)c1ccc(=O)oc1
InChIInChI=1S/C14H11NO6/c1-20-11-4-2-8(14(18)19)6-10(11)15-13(17)9-3-5-12(16)21-7-9/h2-7H,1H3,(H,15,17)(H,18,19)
InChIKeyQGIIAWXDALXTOI-UHFFFAOYSA-N
MW289.24 g/mol
LogP1.60
Rot. Bonds4

About 4-methoxy-3-[(6-oxopyran-3-carbonyl)amino]benzoic acid

4-methoxy-3-[(6-oxopyran-3-carbonyl)amino]benzoic acid (PubChem CID 63744614) has the molecular formula C14H11NO6 and a molecular weight of 289.24 g/mol. Its IUPAC name is 4-methoxy-3-[(6-oxopyran-3-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name4-methoxy-3-[(6-oxopyran-3-carbonyl)amino]benzoic acid
PubChem CID63744614
Molecular FormulaC14H11NO6
Molecular Weight289.24 g/mol
Exact Mass289.06
IUPAC Name4-methoxy-3-[(6-oxopyran-3-carbonyl)amino]benzoic acid
SMILESCOc1ccc(C(=O)O)cc1NC(=O)c1ccc(=O)oc1
InChIInChI=1S/C14H11NO6/c1-20-11-4-2-8(14(18)19)6-10(11)15-13(17)9-3-5-12(16)21-7-9/h2-7H,1H3,(H,15,17)(H,18,19)
InChIKeyQGIIAWXDALXTOI-UHFFFAOYSA-N
XLogP1.60
TPSA105.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.24
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-chloro-4-methoxybenzoyl)amino]-4-methoxybenzoic acid
CID 28673376
6-oxo-N-(3,4,5-trimethoxyphenyl)pyran-3-carboxamide
CID 110697559
4-[(5-carboxy-2-methoxyphenyl)carbamoyl]benzene-1,3-dicarboxylic acid
CID 53269765
3-[(3-fluorobenzoyl)amino]-4-methoxybenzoic acid
CID 28667508
4-methoxy-3-(2-methylpropanoylamino)benzoic acid
CID 63742748
4-methoxy-3-(prop-2-enoylamino)benzoic acid
CID 63742238
3-[(5-chlorothiophene-2-carbonyl)amino]-4-methoxybenzoic acid
CID 63742413
3,5-dichloro-4-[(6-oxopyran-3-carbonyl)amino]benzoic acid
CID 82811849
3-(but-2-enoylamino)-4-methoxybenzoic acid
CID 77004878
4-methoxy-3-[[2-(2-methoxyethoxy)acetyl]amino]benzoic acid
CID 63744788
4-methoxy-3-(naphthalene-1-carbonylamino)benzoic acid
CID 28668454
4-methoxy-3-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoyl]amino]benzoic acid
CID 163196860

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[(6-oxopyran-3-carbonyl)amino]benzoic acid?
The IUPAC name of 4-methoxy-3-[(6-oxopyran-3-carbonyl)amino]benzoic acid (CID 63744614) is 4-methoxy-3-[(6-oxopyran-3-carbonyl)amino]benzoic acid.
What is the SMILES notation for 4-methoxy-3-[(6-oxopyran-3-carbonyl)amino]benzoic acid?
The canonical SMILES for 4-methoxy-3-[(6-oxopyran-3-carbonyl)amino]benzoic acid is COc1ccc(C(=O)O)cc1NC(=O)c1ccc(=O)oc1.
What is the InChIKey of 4-methoxy-3-[(6-oxopyran-3-carbonyl)amino]benzoic acid?
The InChIKey is QGIIAWXDALXTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO6/c1-20-11-4-2-8(14(18)19)6-10(11)15-13(17)9-3-5-12(16)21-7-9/h2-7H,1H3,(H,15,17)(H,18,19).
What are the key properties of 4-methoxy-3-[(6-oxopyran-3-carbonyl)amino]benzoic acid?
4-methoxy-3-[(6-oxopyran-3-carbonyl)amino]benzoic acid has a molecular weight of 289.24 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[(6-oxopyran-3-carbonyl)amino]benzoic acid is sourced from PubChem (CID 63744614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).