4-[(4-hydroxybenzoyl)amino]oxane-4-carboxylic acid

C13H15NO5 — CID 115291748

IUPAC4-[(4-hydroxybenzoyl)amino]oxane-4-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCOCC1)c1ccc(O)cc1
InChIInChI=1S/C13H15NO5/c15-10-3-1-9(2-4-10)11(16)14-13(12(17)18)5-7-19-8-6-13/h1-4,15H,5-8H2,(H,14,16)(H,17,18)
InChIKeyLEYZSAGVXMOKRD-UHFFFAOYSA-N
MW265.26 g/mol
LogP0.76
Rot. Bonds3

About 4-[(4-hydroxybenzoyl)amino]oxane-4-carboxylic acid

4-[(4-hydroxybenzoyl)amino]oxane-4-carboxylic acid (PubChem CID 115291748) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is 4-[(4-hydroxybenzoyl)amino]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[(4-hydroxybenzoyl)amino]oxane-4-carboxylic acid
PubChem CID115291748
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name4-[(4-hydroxybenzoyl)amino]oxane-4-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCOCC1)c1ccc(O)cc1
InChIInChI=1S/C13H15NO5/c15-10-3-1-9(2-4-10)11(16)14-13(12(17)18)5-7-19-8-6-13/h1-4,15H,5-8H2,(H,14,16)(H,17,18)
InChIKeyLEYZSAGVXMOKRD-UHFFFAOYSA-N
XLogP0.76
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 ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-bromobenzoyl)amino]oxane-4-carboxylic acid
CID 113280104
4-[(4-hydroxy-3-methylbenzoyl)amino]oxane-4-carboxylic acid
CID 107675089
4-[(4-hydroxyphenyl)methylcarbamoylamino]oxane-4-carboxylic acid
CID 106528154
(3S)-3-[(3,5-dihydroxybenzoyl)amino]oxolane-3-carboxylic acid
CID 141279182
4-(2,3-dihydro-1-benzofuran-5-carbonylamino)oxane-4-carboxylic acid
CID 115291715
4-[(3-fluoro-4-methoxybenzoyl)amino]oxane-4-carboxylic acid
CID 115291543
3-[[4-(dimethylamino)benzoyl]amino]oxolane-3-carboxylic acid
CID 64890394
4-[(3-hydroxy-2-methylbenzoyl)amino]oxane-4-carboxylic acid
CID 82826795
4-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]oxane-4-carboxylic acid
CID 72884900
4-[(2-iodobenzoyl)amino]oxane-4-carboxylic acid
CID 115291425
4-[(2-bromobenzoyl)amino]oxane-4-carboxylic acid
CID 113280132
4-[(2-hydroxy-3-methylbenzoyl)amino]oxane-4-carboxylic acid
CID 115291380

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxybenzoyl)amino]oxane-4-carboxylic acid?
The IUPAC name of 4-[(4-hydroxybenzoyl)amino]oxane-4-carboxylic acid (CID 115291748) is 4-[(4-hydroxybenzoyl)amino]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[(4-hydroxybenzoyl)amino]oxane-4-carboxylic acid?
The canonical SMILES for 4-[(4-hydroxybenzoyl)amino]oxane-4-carboxylic acid is O=C(NC1(C(=O)O)CCOCC1)c1ccc(O)cc1.
What is the InChIKey of 4-[(4-hydroxybenzoyl)amino]oxane-4-carboxylic acid?
The InChIKey is LEYZSAGVXMOKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5/c15-10-3-1-9(2-4-10)11(16)14-13(12(17)18)5-7-19-8-6-13/h1-4,15H,5-8H2,(H,14,16)(H,17,18).
What are the key properties of 4-[(4-hydroxybenzoyl)amino]oxane-4-carboxylic acid?
4-[(4-hydroxybenzoyl)amino]oxane-4-carboxylic acid has a molecular weight of 265.26 g/mol, XLogP of 0.76, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxybenzoyl)amino]oxane-4-carboxylic acid is sourced from PubChem (CID 115291748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).