5-[(2-carboxyphenyl)carbamoyloxy]-2-methoxybenzoic acid

C16H13NO7 — CID 18974701

IUPAC5-[(2-carboxyphenyl)carbamoyloxy]-2-methoxybenzoic acid
SMILESCOc1ccc(OC(=O)Nc2ccccc2C(=O)O)cc1C(=O)O
InChIInChI=1S/C16H13NO7/c1-23-13-7-6-9(8-11(13)15(20)21)24-16(22)17-12-5-3-2-4-10(12)14(18)19/h2-8H,1H3,(H,17,22)(H,18,19)(H,20,21)
InChIKeyXICCILOKCGAWEV-UHFFFAOYSA-N
MW331.28 g/mol
LogP2.70
Rot. Bonds5

About 5-[(2-carboxyphenyl)carbamoyloxy]-2-methoxybenzoic acid

5-[(2-carboxyphenyl)carbamoyloxy]-2-methoxybenzoic acid (PubChem CID 18974701) has the molecular formula C16H13NO7 and a molecular weight of 331.28 g/mol. Its IUPAC name is 5-[(2-carboxyphenyl)carbamoyloxy]-2-methoxybenzoic acid.

Molecular Properties

Compound Name5-[(2-carboxyphenyl)carbamoyloxy]-2-methoxybenzoic acid
PubChem CID18974701
Molecular FormulaC16H13NO7
Molecular Weight331.28 g/mol
Exact Mass331.07
IUPAC Name5-[(2-carboxyphenyl)carbamoyloxy]-2-methoxybenzoic acid
SMILESCOc1ccc(OC(=O)Nc2ccccc2C(=O)O)cc1C(=O)O
InChIInChI=1S/C16H13NO7/c1-23-13-7-6-9(8-11(13)15(20)21)24-16(22)17-12-5-3-2-4-10(12)14(18)19/h2-8H,1H3,(H,17,22)(H,18,19)(H,20,21)
InChIKeyXICCILOKCGAWEV-UHFFFAOYSA-N
XLogP2.70
TPSA122.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.28
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-2-(phenoxycarbonylamino)benzoic acid
CID 115411200
[3-[(2-methoxyphenyl)carbamoyloxy]phenyl] N-(2-methoxyphenyl)carbamate
CID 4848536
2-[(3-bromo-4-methoxybenzoyl)amino]benzoic acid
CID 43241988
2-[(2-methoxy-4-phenoxybenzoyl)amino]benzoic acid
CID 11990538
2-[(4-methoxybenzoyl)amino]benzoic acid
CID 721421
2-[[2-(2-methoxyanilino)acetyl]amino]benzoic acid
CID 18929239
4-methyl-5-(phenoxycarbonylamino)phthalic acid
CID 67543732
2-[[3-[(2-methoxybenzoyl)amino]benzoyl]amino]benzoic acid
CID 17341336
tert-butyl 2-fluoro-5-[[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]carbamoyloxy]benzoate
CID 18974691
2-[2-[(2,5-dimethoxyphenyl)carbamoyl]phenyl]benzoic acid
CID 1348361
2-[[4-[(2-methoxy-5-methylphenyl)carbamoyl]phenoxy]methyl]benzoic acid
CID 20988651
2-[(2-methoxyphenyl)carbamoyl]benzoic acid
CID 762850

Frequently Asked Questions

What is the IUPAC name of 5-[(2-carboxyphenyl)carbamoyloxy]-2-methoxybenzoic acid?
The IUPAC name of 5-[(2-carboxyphenyl)carbamoyloxy]-2-methoxybenzoic acid (CID 18974701) is 5-[(2-carboxyphenyl)carbamoyloxy]-2-methoxybenzoic acid.
What is the SMILES notation for 5-[(2-carboxyphenyl)carbamoyloxy]-2-methoxybenzoic acid?
The canonical SMILES for 5-[(2-carboxyphenyl)carbamoyloxy]-2-methoxybenzoic acid is COc1ccc(OC(=O)Nc2ccccc2C(=O)O)cc1C(=O)O.
What is the InChIKey of 5-[(2-carboxyphenyl)carbamoyloxy]-2-methoxybenzoic acid?
The InChIKey is XICCILOKCGAWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO7/c1-23-13-7-6-9(8-11(13)15(20)21)24-16(22)17-12-5-3-2-4-10(12)14(18)19/h2-8H,1H3,(H,17,22)(H,18,19)(H,20,21).
What are the key properties of 5-[(2-carboxyphenyl)carbamoyloxy]-2-methoxybenzoic acid?
5-[(2-carboxyphenyl)carbamoyloxy]-2-methoxybenzoic acid has a molecular weight of 331.28 g/mol, XLogP of 2.70, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-carboxyphenyl)carbamoyloxy]-2-methoxybenzoic acid is sourced from PubChem (CID 18974701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).