4-[(4-hydroxybenzoyl)amino]-3-methyloxolane-3-carboxylic acid

C13H15NO5 — CID 66254723

IUPAC4-[(4-hydroxybenzoyl)amino]-3-methyloxolane-3-carboxylic acid
SMILESCC1(C(=O)O)COCC1NC(=O)c1ccc(O)cc1
InChIInChI=1S/C13H15NO5/c1-13(12(17)18)7-19-6-10(13)14-11(16)8-2-4-9(15)5-3-8/h2-5,10,15H,6-7H2,1H3,(H,14,16)(H,17,18)
InChIKeyMDAXUGWTLBRXMV-UHFFFAOYSA-N
MW265.26 g/mol
LogP0.61
Rot. Bonds3

About 4-[(4-hydroxybenzoyl)amino]-3-methyloxolane-3-carboxylic acid

4-[(4-hydroxybenzoyl)amino]-3-methyloxolane-3-carboxylic acid (PubChem CID 66254723) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is 4-[(4-hydroxybenzoyl)amino]-3-methyloxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(4-hydroxybenzoyl)amino]-3-methyloxolane-3-carboxylic acid
PubChem CID66254723
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name4-[(4-hydroxybenzoyl)amino]-3-methyloxolane-3-carboxylic acid
SMILESCC1(C(=O)O)COCC1NC(=O)c1ccc(O)cc1
InChIInChI=1S/C13H15NO5/c1-13(12(17)18)7-19-6-10(13)14-11(16)8-2-4-9(15)5-3-8/h2-5,10,15H,6-7H2,1H3,(H,14,16)(H,17,18)
InChIKeyMDAXUGWTLBRXMV-UHFFFAOYSA-N
XLogP0.61
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 ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-carbamoylbenzoyl)amino]-3-methyloxolane-3-carboxylic acid
CID 66256427
3-methyl-4-[(4-methylsulfanylbenzoyl)amino]oxolane-3-carboxylic acid
CID 66256255
4-[[4-(hydroxymethyl)benzoyl]amino]-3-methyloxolane-3-carboxylic acid
CID 66250277
4-[(4-hydroxy-3-methylbenzoyl)amino]-3-methyloxolane-3-carboxylic acid
CID 107675005
4-[(3-bromo-4-methylbenzoyl)amino]-3-methyloxolane-3-carboxylic acid
CID 81472353
4-[(4-amino-3-chlorobenzoyl)amino]-3-methyloxolane-3-carboxylic acid
CID 66249336
4-(1H-indole-6-carbonylamino)-3-methyloxolane-3-carboxylic acid
CID 66257202
3-methyl-4-[(1-methyl-2-oxopyridine-4-carbonyl)amino]oxolane-3-carboxylic acid
CID 66256432
4-[(3-chloro-5-methylbenzoyl)amino]-3-methyloxolane-3-carboxylic acid
CID 81323538
4-[(5-fluoropyridine-3-carbonyl)amino]-3-methyloxolane-3-carboxylic acid
CID 104785636
4-[[2-(aminomethyl)pyridine-4-carbonyl]amino]-3-methyloxolane-3-carboxylic acid
CID 114326744
4-acetamido-3-methyloxolane-3-carboxylic acid
CID 66256805

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxybenzoyl)amino]-3-methyloxolane-3-carboxylic acid?
The IUPAC name of 4-[(4-hydroxybenzoyl)amino]-3-methyloxolane-3-carboxylic acid (CID 66254723) is 4-[(4-hydroxybenzoyl)amino]-3-methyloxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(4-hydroxybenzoyl)amino]-3-methyloxolane-3-carboxylic acid?
The canonical SMILES for 4-[(4-hydroxybenzoyl)amino]-3-methyloxolane-3-carboxylic acid is CC1(C(=O)O)COCC1NC(=O)c1ccc(O)cc1.
What is the InChIKey of 4-[(4-hydroxybenzoyl)amino]-3-methyloxolane-3-carboxylic acid?
The InChIKey is MDAXUGWTLBRXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5/c1-13(12(17)18)7-19-6-10(13)14-11(16)8-2-4-9(15)5-3-8/h2-5,10,15H,6-7H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 4-[(4-hydroxybenzoyl)amino]-3-methyloxolane-3-carboxylic acid?
4-[(4-hydroxybenzoyl)amino]-3-methyloxolane-3-carboxylic acid has a molecular weight of 265.26 g/mol, XLogP of 0.61, 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]-3-methyloxolane-3-carboxylic acid is sourced from PubChem (CID 66254723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).