3-[(4-hydroxy-3-methylbenzoyl)amino]oxolane-3-carboxylic acid

C13H15NO5 — CID 107674961

IUPAC3-[(4-hydroxy-3-methylbenzoyl)amino]oxolane-3-carboxylic acid
SMILESCc1cc(C(=O)NC2(C(=O)O)CCOC2)ccc1O
InChIInChI=1S/C13H15NO5/c1-8-6-9(2-3-10(8)15)11(16)14-13(12(17)18)4-5-19-7-13/h2-3,6,15H,4-5,7H2,1H3,(H,14,16)(H,17,18)
InChIKeyNUZKXUAWCMWZDJ-UHFFFAOYSA-N
MW265.26 g/mol
LogP0.67
Rot. Bonds3

About 3-[(4-hydroxy-3-methylbenzoyl)amino]oxolane-3-carboxylic acid

3-[(4-hydroxy-3-methylbenzoyl)amino]oxolane-3-carboxylic acid (PubChem CID 107674961) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is 3-[(4-hydroxy-3-methylbenzoyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[(4-hydroxy-3-methylbenzoyl)amino]oxolane-3-carboxylic acid
PubChem CID107674961
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name3-[(4-hydroxy-3-methylbenzoyl)amino]oxolane-3-carboxylic acid
SMILESCc1cc(C(=O)NC2(C(=O)O)CCOC2)ccc1O
InChIInChI=1S/C13H15NO5/c1-8-6-9(2-3-10(8)15)11(16)14-13(12(17)18)4-5-19-7-13/h2-3,6,15H,4-5,7H2,1H3,(H,14,16)(H,17,18)
InChIKeyNUZKXUAWCMWZDJ-UHFFFAOYSA-N
XLogP0.67
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-hydroxy-3-methylbenzoyl)amino]oxane-4-carboxylic acid
CID 107675089
3-[(4-fluoro-3-methylbenzoyl)amino]oxolane-3-carboxylic acid
CID 64890379
3-[(4-bromo-3-methylbenzoyl)amino]oxolane-3-carboxylic acid
CID 113396648
3-[(3-methoxy-4-methylbenzoyl)amino]oxolane-3-carboxylic acid
CID 64889609
(3S)-3-[(3,5-dihydroxybenzoyl)amino]oxolane-3-carboxylic acid
CID 141279182
3-[[4-(dimethylamino)benzoyl]amino]oxolane-3-carboxylic acid
CID 64890394
3-[(3-bromo-4-fluorobenzoyl)amino]oxolane-3-carboxylic acid
CID 103925896
3-[(4-bromo-3-fluorobenzoyl)amino]oxolane-3-carboxylic acid
CID 64889400
3-[(2-hydroxy-5-methoxybenzoyl)amino]oxolane-3-carboxylic acid
CID 64889956
3-[(3-methoxybenzoyl)amino]oxolane-3-carboxylic acid
CID 64888035
3-[(3,5-dibromobenzoyl)amino]oxolane-3-carboxylic acid
CID 107971497
3-[(3-methylsulfonylbenzoyl)amino]oxolane-3-carboxylic acid
CID 64888224

Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxy-3-methylbenzoyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[(4-hydroxy-3-methylbenzoyl)amino]oxolane-3-carboxylic acid (CID 107674961) is 3-[(4-hydroxy-3-methylbenzoyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[(4-hydroxy-3-methylbenzoyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[(4-hydroxy-3-methylbenzoyl)amino]oxolane-3-carboxylic acid is Cc1cc(C(=O)NC2(C(=O)O)CCOC2)ccc1O.
What is the InChIKey of 3-[(4-hydroxy-3-methylbenzoyl)amino]oxolane-3-carboxylic acid?
The InChIKey is NUZKXUAWCMWZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5/c1-8-6-9(2-3-10(8)15)11(16)14-13(12(17)18)4-5-19-7-13/h2-3,6,15H,4-5,7H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 3-[(4-hydroxy-3-methylbenzoyl)amino]oxolane-3-carboxylic acid?
3-[(4-hydroxy-3-methylbenzoyl)amino]oxolane-3-carboxylic acid has a molecular weight of 265.26 g/mol, XLogP of 0.67, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydroxy-3-methylbenzoyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 107674961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).