3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]oxolane-3-carboxylic acid

C15H19NO6 — CID 120688788

IUPAC3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]oxolane-3-carboxylic acid
SMILESCOc1ccc(OC)c(CC(=O)NC2(C(=O)O)CCOC2)c1
InChIInChI=1S/C15H19NO6/c1-20-11-3-4-12(21-2)10(7-11)8-13(17)16-15(14(18)19)5-6-22-9-15/h3-4,7H,5-6,8-9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyZGUGXNKNTDXFRX-UHFFFAOYSA-N
MW309.32 g/mol
LogP0.61
Rot. Bonds6

About 3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]oxolane-3-carboxylic acid

3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]oxolane-3-carboxylic acid (PubChem CID 120688788) has the molecular formula C15H19NO6 and a molecular weight of 309.32 g/mol. Its IUPAC name is 3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]oxolane-3-carboxylic acid
PubChem CID120688788
Molecular FormulaC15H19NO6
Molecular Weight309.32 g/mol
Exact Mass309.12
IUPAC Name3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]oxolane-3-carboxylic acid
SMILESCOc1ccc(OC)c(CC(=O)NC2(C(=O)O)CCOC2)c1
InChIInChI=1S/C15H19NO6/c1-20-11-3-4-12(21-2)10(7-11)8-13(17)16-15(14(18)19)5-6-22-9-15/h3-4,7H,5-6,8-9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyZGUGXNKNTDXFRX-UHFFFAOYSA-N
XLogP0.61
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[[2-(2,5-dimethoxyphenyl)acetyl]amino]methyl]oxane-4-carboxylic acid
CID 120690089
3-[(2-hydroxy-5-methoxybenzoyl)amino]oxolane-3-carboxylic acid
CID 64889956
1-[[2-(5-fluoro-2-methoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 120666403
3-[(3-methoxybenzoyl)amino]oxolane-3-carboxylic acid
CID 64888035
3-[(3-methoxy-4-methylbenzoyl)amino]oxolane-3-carboxylic acid
CID 64889609
3-[[4-(3-fluoro-4-methoxyphenyl)-4-oxobutanoyl]amino]oxolane-3-carboxylic acid
CID 120688787
3-[[2-(2,6-dimethylphenyl)acetyl]amino]oxolane-3-carboxylic acid
CID 120688786
4-amino-N-[(2,5-dimethoxyphenyl)methyl]oxane-4-carboxamide
CID 115294665
3-[(2,5-dimethoxyphenyl)methyl]oxetane-3-carboxylic acid
CID 116930077
3-[[2-(3-aminophenyl)acetyl]amino]oxolane-3-carboxylic acid
CID 65350121
2-(2,5-dimethoxyphenyl)-N-methoxyacetamide
CID 78829398
3-[[2-(3-fluorophenoxy)acetyl]amino]oxolane-3-carboxylic acid
CID 64889222

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]oxolane-3-carboxylic acid (CID 120688788) is 3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]oxolane-3-carboxylic acid is COc1ccc(OC)c(CC(=O)NC2(C(=O)O)CCOC2)c1.
What is the InChIKey of 3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]oxolane-3-carboxylic acid?
The InChIKey is ZGUGXNKNTDXFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO6/c1-20-11-3-4-12(21-2)10(7-11)8-13(17)16-15(14(18)19)5-6-22-9-15/h3-4,7H,5-6,8-9H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]oxolane-3-carboxylic acid?
3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]oxolane-3-carboxylic acid has a molecular weight of 309.32 g/mol, XLogP of 0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 120688788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).