3-[[2-(2,6-dimethylphenyl)acetyl]amino]oxolane-3-carboxylic acid

C15H19NO4 — CID 120688786

IUPAC3-[[2-(2,6-dimethylphenyl)acetyl]amino]oxolane-3-carboxylic acid
SMILESCc1cccc(C)c1CC(=O)NC1(C(=O)O)CCOC1
InChIInChI=1S/C15H19NO4/c1-10-4-3-5-11(2)12(10)8-13(17)16-15(14(18)19)6-7-20-9-15/h3-5H,6-9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyKAYSZFCGMJEYPH-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.21
Rot. Bonds4

About 3-[[2-(2,6-dimethylphenyl)acetyl]amino]oxolane-3-carboxylic acid

3-[[2-(2,6-dimethylphenyl)acetyl]amino]oxolane-3-carboxylic acid (PubChem CID 120688786) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-[[2-(2,6-dimethylphenyl)acetyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(2,6-dimethylphenyl)acetyl]amino]oxolane-3-carboxylic acid
PubChem CID120688786
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name3-[[2-(2,6-dimethylphenyl)acetyl]amino]oxolane-3-carboxylic acid
SMILESCc1cccc(C)c1CC(=O)NC1(C(=O)O)CCOC1
InChIInChI=1S/C15H19NO4/c1-10-4-3-5-11(2)12(10)8-13(17)16-15(14(18)19)6-7-20-9-15/h3-5H,6-9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyKAYSZFCGMJEYPH-UHFFFAOYSA-N
XLogP1.21
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(3-aminophenyl)acetyl]amino]oxolane-3-carboxylic acid
CID 65350121
4-[3-(2-methylphenyl)propanoylamino]oxane-4-carboxylic acid
CID 115291472
3-[[2-(4-nitrophenyl)acetyl]amino]oxolane-3-carboxylic acid
CID 64888789
3-[[2-(4-methylphenyl)sulfanylacetyl]amino]oxolane-3-carboxylic acid
CID 64890387
3-[[2-(1H-indol-3-yl)acetyl]amino]oxolane-3-carboxylic acid
CID 64890196
3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]oxolane-3-carboxylic acid
CID 120688788
3-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]oxolane-3-carboxylic acid
CID 64889000
3-(butanoylamino)oxolane-3-carboxylic acid
CID 64889566
3-[3-(4-aminophenyl)butanoylamino]oxolane-3-carboxylic acid
CID 104502718
3-[[2-(cyclohexen-1-yl)acetyl]amino]oxolane-3-carboxylic acid
CID 64889233
4-[(2,6-dimethylphenyl)carbamoylamino]oxane-4-carboxylic acid
CID 115292812
4-[(2-hydroxy-3-methylbenzoyl)amino]oxane-4-carboxylic acid
CID 115291380

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,6-dimethylphenyl)acetyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[[2-(2,6-dimethylphenyl)acetyl]amino]oxolane-3-carboxylic acid (CID 120688786) is 3-[[2-(2,6-dimethylphenyl)acetyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[[2-(2,6-dimethylphenyl)acetyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[[2-(2,6-dimethylphenyl)acetyl]amino]oxolane-3-carboxylic acid is Cc1cccc(C)c1CC(=O)NC1(C(=O)O)CCOC1.
What is the InChIKey of 3-[[2-(2,6-dimethylphenyl)acetyl]amino]oxolane-3-carboxylic acid?
The InChIKey is KAYSZFCGMJEYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-10-4-3-5-11(2)12(10)8-13(17)16-15(14(18)19)6-7-20-9-15/h3-5H,6-9H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 3-[[2-(2,6-dimethylphenyl)acetyl]amino]oxolane-3-carboxylic acid?
3-[[2-(2,6-dimethylphenyl)acetyl]amino]oxolane-3-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,6-dimethylphenyl)acetyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 120688786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).