4-[(4-methylbenzoyl)-propylamino]oxolane-3-carboxylic acid

C16H21NO4 — CID 66254149

IUPAC4-[(4-methylbenzoyl)-propylamino]oxolane-3-carboxylic acid
SMILESCCCN(C(=O)c1ccc(C)cc1)C1COCC1C(=O)O
InChIInChI=1S/C16H21NO4/c1-3-8-17(14-10-21-9-13(14)16(19)20)15(18)12-6-4-11(2)5-7-12/h4-7,13-14H,3,8-10H2,1-2H3,(H,19,20)
InChIKeyXHBIMQGCDIYEFR-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.95
Rot. Bonds5

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

4-[(4-methylbenzoyl)-propylamino]oxolane-3-carboxylic acid (PubChem CID 66254149) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-[(4-methylbenzoyl)-propylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(4-methylbenzoyl)-propylamino]oxolane-3-carboxylic acid
PubChem CID66254149
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name4-[(4-methylbenzoyl)-propylamino]oxolane-3-carboxylic acid
SMILESCCCN(C(=O)c1ccc(C)cc1)C1COCC1C(=O)O
InChIInChI=1S/C16H21NO4/c1-3-8-17(14-10-21-9-13(14)16(19)20)15(18)12-6-4-11(2)5-7-12/h4-7,13-14H,3,8-10H2,1-2H3,(H,19,20)
InChIKeyXHBIMQGCDIYEFR-UHFFFAOYSA-N
XLogP1.95
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[propyl(1H-pyrazole-4-carbonyl)amino]oxolane-3-carboxylic acid
CID 66253972
4-[(2-iodobenzoyl)-propylamino]oxolane-3-carboxylic acid
CID 66253206
4-[acetyl(propyl)amino]oxolane-3-carboxylic acid
CID 66257984
4-[ethyl-(4-methoxybenzoyl)amino]oxolane-3-carboxylic acid
CID 66245647
4-[(4,5-dimethylthiophene-2-carbonyl)-propylamino]oxolane-3-carboxylic acid
CID 66260303
4-[ethyl-[2-(4-methylphenyl)acetyl]amino]oxolane-3-carboxylic acid
CID 66246021
4-[(1-ethylpyrrole-2-carbonyl)-propylamino]oxolane-3-carboxylic acid
CID 66251268
4-[(1,5-dimethylpyrazole-4-carbonyl)-propylamino]oxolane-3-carboxylic acid
CID 66252239
4-[(3,4-dihydroxybenzoyl)-ethylamino]oxolane-3-carboxylic acid
CID 107728145
4-[(3-chloropyridine-4-carbonyl)-propylamino]oxolane-3-carboxylic acid
CID 66463005
4-[ethyl-(5-methylpyridine-3-carbonyl)amino]oxolane-3-carboxylic acid
CID 66245826
4-[furan-2-ylmethylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid
CID 66253468

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylbenzoyl)-propylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(4-methylbenzoyl)-propylamino]oxolane-3-carboxylic acid (CID 66254149) is 4-[(4-methylbenzoyl)-propylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(4-methylbenzoyl)-propylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(4-methylbenzoyl)-propylamino]oxolane-3-carboxylic acid is CCCN(C(=O)c1ccc(C)cc1)C1COCC1C(=O)O.
What is the InChIKey of 4-[(4-methylbenzoyl)-propylamino]oxolane-3-carboxylic acid?
The InChIKey is XHBIMQGCDIYEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-3-8-17(14-10-21-9-13(14)16(19)20)15(18)12-6-4-11(2)5-7-12/h4-7,13-14H,3,8-10H2,1-2H3,(H,19,20).
What are the key properties of 4-[(4-methylbenzoyl)-propylamino]oxolane-3-carboxylic acid?
4-[(4-methylbenzoyl)-propylamino]oxolane-3-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylbenzoyl)-propylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66254149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).