5-methoxy-2-(phenoxycarbonylamino)benzoic acid

C15H13NO5 — CID 115411200

IUPAC5-methoxy-2-(phenoxycarbonylamino)benzoic acid
SMILESCOc1ccc(NC(=O)Oc2ccccc2)c(C(=O)O)c1
InChIInChI=1S/C15H13NO5/c1-20-11-7-8-13(12(9-11)14(17)18)16-15(19)21-10-5-3-2-4-6-10/h2-9H,1H3,(H,16,19)(H,17,18)
InChIKeyXVZSIIPDMLOTAL-UHFFFAOYSA-N
MW287.27 g/mol
LogP3.00
Rot. Bonds4

About 5-methoxy-2-(phenoxycarbonylamino)benzoic acid

5-methoxy-2-(phenoxycarbonylamino)benzoic acid (PubChem CID 115411200) has the molecular formula C15H13NO5 and a molecular weight of 287.27 g/mol. Its IUPAC name is 5-methoxy-2-(phenoxycarbonylamino)benzoic acid.

Molecular Properties

Compound Name5-methoxy-2-(phenoxycarbonylamino)benzoic acid
PubChem CID115411200
Molecular FormulaC15H13NO5
Molecular Weight287.27 g/mol
Exact Mass287.08
IUPAC Name5-methoxy-2-(phenoxycarbonylamino)benzoic acid
SMILESCOc1ccc(NC(=O)Oc2ccccc2)c(C(=O)O)c1
InChIInChI=1S/C15H13NO5/c1-20-11-7-8-13(12(9-11)14(17)18)16-15(19)21-10-5-3-2-4-6-10/h2-9H,1H3,(H,16,19)(H,17,18)
InChIKeyXVZSIIPDMLOTAL-UHFFFAOYSA-N
XLogP3.00
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-carboxyphenyl)carbamoyloxy]-2-methoxybenzoic acid
CID 18974701
4-methyl-5-(phenoxycarbonylamino)phthalic acid
CID 67543732
2-[(3-hydroxybenzoyl)amino]-5-methoxybenzoic acid
CID 115410948
2-(diethylcarbamoylamino)-5-methoxybenzoic acid
CID 113304987
diphenyl 4-methoxybenzene-1,2-dicarboxylate
CID 21306237
2-[[2-(2-fluoroanilino)acetyl]amino]-5-methoxybenzoic acid
CID 18929238
2-[(5-chloropyridine-2-carbonyl)amino]-5-methoxybenzoic acid
CID 115410990
2-[[(E)-1,4-dimethoxy-1,4-dioxobut-2-en-2-yl]amino]-5-methoxybenzoic acid
CID 168569978
2-[[2-(3-methoxyphenyl)acetyl]amino]-5-methylbenzoic acid
CID 43823093
phenyl N-(5-acetyl-2-methoxy-6-methyl-3-pyridinyl)carbamate
CID 19357047
5-methoxy-2-(propylamino)benzoic acid
CID 54594237
phenyl N-(2-bromo-4-methylphenyl)carbamate
CID 3453949

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(phenoxycarbonylamino)benzoic acid?
The IUPAC name of 5-methoxy-2-(phenoxycarbonylamino)benzoic acid (CID 115411200) is 5-methoxy-2-(phenoxycarbonylamino)benzoic acid.
What is the SMILES notation for 5-methoxy-2-(phenoxycarbonylamino)benzoic acid?
The canonical SMILES for 5-methoxy-2-(phenoxycarbonylamino)benzoic acid is COc1ccc(NC(=O)Oc2ccccc2)c(C(=O)O)c1.
What is the InChIKey of 5-methoxy-2-(phenoxycarbonylamino)benzoic acid?
The InChIKey is XVZSIIPDMLOTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO5/c1-20-11-7-8-13(12(9-11)14(17)18)16-15(19)21-10-5-3-2-4-6-10/h2-9H,1H3,(H,16,19)(H,17,18).
What are the key properties of 5-methoxy-2-(phenoxycarbonylamino)benzoic acid?
5-methoxy-2-(phenoxycarbonylamino)benzoic acid has a molecular weight of 287.27 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(phenoxycarbonylamino)benzoic acid is sourced from PubChem (CID 115411200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).