3-[[4-(dimethylamino)benzoyl]amino]oxolane-3-carboxylic acid

C14H18N2O4 — CID 64890394

IUPAC3-[[4-(dimethylamino)benzoyl]amino]oxolane-3-carboxylic acid
SMILESCN(C)c1ccc(C(=O)NC2(C(=O)O)CCOC2)cc1
InChIInChI=1S/C14H18N2O4/c1-16(2)11-5-3-10(4-6-11)12(17)15-14(13(18)19)7-8-20-9-14/h3-6H,7-9H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyZODUFNZRZGGTSA-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.73
Rot. Bonds4

About 3-[[4-(dimethylamino)benzoyl]amino]oxolane-3-carboxylic acid

3-[[4-(dimethylamino)benzoyl]amino]oxolane-3-carboxylic acid (PubChem CID 64890394) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-[[4-(dimethylamino)benzoyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[[4-(dimethylamino)benzoyl]amino]oxolane-3-carboxylic acid
PubChem CID64890394
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name3-[[4-(dimethylamino)benzoyl]amino]oxolane-3-carboxylic acid
SMILESCN(C)c1ccc(C(=O)NC2(C(=O)O)CCOC2)cc1
InChIInChI=1S/C14H18N2O4/c1-16(2)11-5-3-10(4-6-11)12(17)15-14(13(18)19)7-8-20-9-14/h3-6H,7-9H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyZODUFNZRZGGTSA-UHFFFAOYSA-N
XLogP0.73
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(6-chloropyridine-3-carbonyl)amino]oxolane-3-carboxylic acid
CID 64888056
3-[(4-hydroxy-3-methylbenzoyl)amino]oxolane-3-carboxylic acid
CID 107674961
3-[(4-fluoro-3-methylbenzoyl)amino]oxolane-3-carboxylic acid
CID 64890379
3-[(4-bromo-3-methylbenzoyl)amino]oxolane-3-carboxylic acid
CID 113396648
(3S)-3-[(3,5-dihydroxybenzoyl)amino]oxolane-3-carboxylic acid
CID 141279182
4-[(4-hydroxybenzoyl)amino]oxane-4-carboxylic acid
CID 115291748
3-[(3-methoxy-4-methylbenzoyl)amino]oxolane-3-carboxylic acid
CID 64889609
3-[(4-prop-2-enoxybenzoyl)amino]oxolane-3-carboxylic acid
CID 64889021
3-[(3,5-dibromobenzoyl)amino]oxolane-3-carboxylic acid
CID 107971497
N-[4-(bromomethyl)oxan-4-yl]-4-(dimethylamino)benzamide
CID 106300880
3-[(3-bromo-4-fluorobenzoyl)amino]oxolane-3-carboxylic acid
CID 103925896
3-[[ethyl-(4-methylphenyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 64893700

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(dimethylamino)benzoyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[[4-(dimethylamino)benzoyl]amino]oxolane-3-carboxylic acid (CID 64890394) is 3-[[4-(dimethylamino)benzoyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[[4-(dimethylamino)benzoyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[[4-(dimethylamino)benzoyl]amino]oxolane-3-carboxylic acid is CN(C)c1ccc(C(=O)NC2(C(=O)O)CCOC2)cc1.
What is the InChIKey of 3-[[4-(dimethylamino)benzoyl]amino]oxolane-3-carboxylic acid?
The InChIKey is ZODUFNZRZGGTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-16(2)11-5-3-10(4-6-11)12(17)15-14(13(18)19)7-8-20-9-14/h3-6H,7-9H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 3-[[4-(dimethylamino)benzoyl]amino]oxolane-3-carboxylic acid?
3-[[4-(dimethylamino)benzoyl]amino]oxolane-3-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(dimethylamino)benzoyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 64890394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).