4-[[2-(4-methoxyphenyl)acetyl]-methylamino]oxolane-3-carboxylic acid

C15H19NO5 — CID 66238179

IUPAC4-[[2-(4-methoxyphenyl)acetyl]-methylamino]oxolane-3-carboxylic acid
SMILESCOc1ccc(CC(=O)N(C)C2COCC2C(=O)O)cc1
InChIInChI=1S/C15H19NO5/c1-16(13-9-21-8-12(13)15(18)19)14(17)7-10-3-5-11(20-2)6-4-10/h3-6,12-13H,7-9H2,1-2H3,(H,18,19)
InChIKeyAQIVBZVXDVJSSZ-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.80
Rot. Bonds5

About 4-[[2-(4-methoxyphenyl)acetyl]-methylamino]oxolane-3-carboxylic acid

4-[[2-(4-methoxyphenyl)acetyl]-methylamino]oxolane-3-carboxylic acid (PubChem CID 66238179) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 4-[[2-(4-methoxyphenyl)acetyl]-methylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(4-methoxyphenyl)acetyl]-methylamino]oxolane-3-carboxylic acid
PubChem CID66238179
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name4-[[2-(4-methoxyphenyl)acetyl]-methylamino]oxolane-3-carboxylic acid
SMILESCOc1ccc(CC(=O)N(C)C2COCC2C(=O)O)cc1
InChIInChI=1S/C15H19NO5/c1-16(13-9-21-8-12(13)15(18)19)14(17)7-10-3-5-11(20-2)6-4-10/h3-6,12-13H,7-9H2,1-2H3,(H,18,19)
InChIKeyAQIVBZVXDVJSSZ-UHFFFAOYSA-N
XLogP0.80
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-hydroxy-5-methoxyphenyl)methyl-methylamino]oxolane-3-carboxylic acid
CID 66265714
4-[methyl(3-phenoxypropanoyl)amino]oxolane-3-carboxylic acid
CID 66238376
2-(4-ethoxyphenyl)-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-N-methylacetamide
CID 91795555
4-[3-(4-aminophenyl)propanoyl-methylamino]oxolane-3-carboxylic acid
CID 115341532
4-[ethyl-(4-methoxybenzoyl)amino]oxolane-3-carboxylic acid
CID 66245647
N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-(4-methoxyphenyl)-N-methylacetamide
CID 155983827
4-[methyl-[3-(2-methylphenyl)propanoyl]amino]oxolane-3-carboxylic acid
CID 66235536
4-[ethyl-[2-(4-methylphenyl)acetyl]amino]oxolane-3-carboxylic acid
CID 66246021
4-[[4-(difluoromethoxy)phenyl]methyl-methylamino]oxolane-3-carboxylic acid
CID 66266684
1-(3,5-dimethylmorpholin-4-yl)-2-(4-methoxyphenyl)ethanone
CID 110292319
4-[[2-(dimethylamino)-2-oxoethyl]-methylamino]oxolane-3-carboxylic acid
CID 66267848
4-[3-(furan-2-yl)propanoyl-methylamino]oxolane-3-carboxylic acid
CID 66238169

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-methoxyphenyl)acetyl]-methylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[[2-(4-methoxyphenyl)acetyl]-methylamino]oxolane-3-carboxylic acid (CID 66238179) is 4-[[2-(4-methoxyphenyl)acetyl]-methylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[[2-(4-methoxyphenyl)acetyl]-methylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[[2-(4-methoxyphenyl)acetyl]-methylamino]oxolane-3-carboxylic acid is COc1ccc(CC(=O)N(C)C2COCC2C(=O)O)cc1.
What is the InChIKey of 4-[[2-(4-methoxyphenyl)acetyl]-methylamino]oxolane-3-carboxylic acid?
The InChIKey is AQIVBZVXDVJSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-16(13-9-21-8-12(13)15(18)19)14(17)7-10-3-5-11(20-2)6-4-10/h3-6,12-13H,7-9H2,1-2H3,(H,18,19).
What are the key properties of 4-[[2-(4-methoxyphenyl)acetyl]-methylamino]oxolane-3-carboxylic acid?
4-[[2-(4-methoxyphenyl)acetyl]-methylamino]oxolane-3-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-methoxyphenyl)acetyl]-methylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66238179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).