3-[(2-hydroxy-5-methoxybenzoyl)amino]oxolane-3-carboxylic acid

C13H15NO6 — CID 64889956

IUPAC3-[(2-hydroxy-5-methoxybenzoyl)amino]oxolane-3-carboxylic acid
SMILESCOc1ccc(O)c(C(=O)NC2(C(=O)O)CCOC2)c1
InChIInChI=1S/C13H15NO6/c1-19-8-2-3-10(15)9(6-8)11(16)14-13(12(17)18)4-5-20-7-13/h2-3,6,15H,4-5,7H2,1H3,(H,14,16)(H,17,18)
InChIKeyVGLQCTMZMVWARC-UHFFFAOYSA-N
MW281.26 g/mol
LogP0.37
Rot. Bonds4

About 3-[(2-hydroxy-5-methoxybenzoyl)amino]oxolane-3-carboxylic acid

3-[(2-hydroxy-5-methoxybenzoyl)amino]oxolane-3-carboxylic acid (PubChem CID 64889956) has the molecular formula C13H15NO6 and a molecular weight of 281.26 g/mol. Its IUPAC name is 3-[(2-hydroxy-5-methoxybenzoyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[(2-hydroxy-5-methoxybenzoyl)amino]oxolane-3-carboxylic acid
PubChem CID64889956
Molecular FormulaC13H15NO6
Molecular Weight281.26 g/mol
Exact Mass281.09
IUPAC Name3-[(2-hydroxy-5-methoxybenzoyl)amino]oxolane-3-carboxylic acid
SMILESCOc1ccc(O)c(C(=O)NC2(C(=O)O)CCOC2)c1
InChIInChI=1S/C13H15NO6/c1-19-8-2-3-10(15)9(6-8)11(16)14-13(12(17)18)4-5-20-7-13/h2-3,6,15H,4-5,7H2,1H3,(H,14,16)(H,17,18)
InChIKeyVGLQCTMZMVWARC-UHFFFAOYSA-N
XLogP0.37
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.26
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-methoxybenzoyl)amino]oxolane-3-carboxylic acid
CID 64888035
3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]oxolane-3-carboxylic acid
CID 120688788
3-[(4-hydroxy-3-methylbenzoyl)amino]oxolane-3-carboxylic acid
CID 107674961
3-[(3-methoxy-4-methylbenzoyl)amino]oxolane-3-carboxylic acid
CID 64889609
1-[(2,5-dimethoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43351073
1-[(2-amino-5-methoxybenzoyl)amino]cyclopropane-1-carboxylic acid
CID 115413408
(3S)-3-[(3,5-dihydroxybenzoyl)amino]oxolane-3-carboxylic acid
CID 141279182
3-[(4-methoxyphenyl)sulfonylamino]oxolane-3-carboxylic acid
CID 64888281
3-[(4-fluoro-2-iodobenzoyl)amino]oxolane-3-carboxylic acid
CID 113352905
N-(1-cyanocyclohexyl)-2-hydroxy-5-methoxybenzamide
CID 60717143
3-[(5-chloro-2-iodobenzoyl)amino]oxolane-3-carboxylic acid
CID 103925892
3-[(6-methoxyisoquinolin-1-yl)amino]oxolane-3-carboxylic acid
CID 106536236

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxy-5-methoxybenzoyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[(2-hydroxy-5-methoxybenzoyl)amino]oxolane-3-carboxylic acid (CID 64889956) is 3-[(2-hydroxy-5-methoxybenzoyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[(2-hydroxy-5-methoxybenzoyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[(2-hydroxy-5-methoxybenzoyl)amino]oxolane-3-carboxylic acid is COc1ccc(O)c(C(=O)NC2(C(=O)O)CCOC2)c1.
What is the InChIKey of 3-[(2-hydroxy-5-methoxybenzoyl)amino]oxolane-3-carboxylic acid?
The InChIKey is VGLQCTMZMVWARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO6/c1-19-8-2-3-10(15)9(6-8)11(16)14-13(12(17)18)4-5-20-7-13/h2-3,6,15H,4-5,7H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 3-[(2-hydroxy-5-methoxybenzoyl)amino]oxolane-3-carboxylic acid?
3-[(2-hydroxy-5-methoxybenzoyl)amino]oxolane-3-carboxylic acid has a molecular weight of 281.26 g/mol, XLogP of 0.37, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxy-5-methoxybenzoyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 64889956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).