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

C15H20N2O4 — CID 66235943

IUPAC4-[[4-(dimethylamino)benzoyl]-methylamino]oxolane-3-carboxylic acid
SMILESCN(C)c1ccc(C(=O)N(C)C2COCC2C(=O)O)cc1
InChIInChI=1S/C15H20N2O4/c1-16(2)11-6-4-10(5-7-11)14(18)17(3)13-9-21-8-12(13)15(19)20/h4-7,12-13H,8-9H2,1-3H3,(H,19,20)
InChIKeyWFZZAVQRHGRYLW-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.92
Rot. Bonds4

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

4-[[4-(dimethylamino)benzoyl]-methylamino]oxolane-3-carboxylic acid (PubChem CID 66235943) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-[[4-(dimethylamino)benzoyl]-methylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[[4-(dimethylamino)benzoyl]-methylamino]oxolane-3-carboxylic acid
PubChem CID66235943
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name4-[[4-(dimethylamino)benzoyl]-methylamino]oxolane-3-carboxylic acid
SMILESCN(C)c1ccc(C(=O)N(C)C2COCC2C(=O)O)cc1
InChIInChI=1S/C15H20N2O4/c1-16(2)11-6-4-10(5-7-11)14(18)17(3)13-9-21-8-12(13)15(19)20/h4-7,12-13H,8-9H2,1-3H3,(H,19,20)
InChIKeyWFZZAVQRHGRYLW-UHFFFAOYSA-N
XLogP0.92
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(4-acetylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2376771
Ethyl 1-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperidine-4-carboxylate
CID 9437486
1-(4-Acetylphenyl)-5-Oxo-3-Pyrrolidinecarboxylic Acid
CID 4118828
(2S)-2-[[4-[[(2S)-2-acetamido-3-hydroxypropanoyl]amino]benzoyl]amino]-3-methylbutanoic acid
CID 10642580
Ethyl 1-[4-(dimethylamino)benzoyl]-2-methylpyrrolidine-2-carboxylate
CID 49778846
(3R)-3-[3-fluoro-4-(methylcarbamoyl)anilino]oxolane-3-carboxylic acid
CID 118202088
3-[3-Fluoro-4-(methylcarbamoyl)anilino]oxolane-3-carboxylic acid
CID 118202089
Methyl (R)-3-[[3-Fluoro-4-(methylcarbamoyl)phenyl]amino]tetrahydrofuran-3-carboxylate
CID 118213844
butyl (3R)-3-[3-fluoro-4-(methylcarbamoyl)anilino]oxolane-3-carboxylate
CID 118213850
(R)-3-(3-fluoro-4-{methyl[2-(trimethylsilyl)ethoxymethyl]carbamoyl}phenylamino)-tetrahydrofuran-3-carboxylic acid
CID 131733092
(3S)-3-[3-fluoro-4-(methylcarbamoyl)anilino]oxolane-3-carboxylic acid
CID 151206009
Methyl 3-[3-fluoro-4-(methylcarbamoyl)anilino]oxolane-3-carboxylate
CID 153521946

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(dimethylamino)benzoyl]-methylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[[4-(dimethylamino)benzoyl]-methylamino]oxolane-3-carboxylic acid (CID 66235943) is 4-[[4-(dimethylamino)benzoyl]-methylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[[4-(dimethylamino)benzoyl]-methylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[[4-(dimethylamino)benzoyl]-methylamino]oxolane-3-carboxylic acid is CN(C)c1ccc(C(=O)N(C)C2COCC2C(=O)O)cc1.
What is the InChIKey of 4-[[4-(dimethylamino)benzoyl]-methylamino]oxolane-3-carboxylic acid?
The InChIKey is WFZZAVQRHGRYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-16(2)11-6-4-10(5-7-11)14(18)17(3)13-9-21-8-12(13)15(19)20/h4-7,12-13H,8-9H2,1-3H3,(H,19,20).
What are the key properties of 4-[[4-(dimethylamino)benzoyl]-methylamino]oxolane-3-carboxylic acid?
4-[[4-(dimethylamino)benzoyl]-methylamino]oxolane-3-carboxylic acid has a molecular weight of 292.34 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(dimethylamino)benzoyl]-methylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66235943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).