4-[[2-(2,6-dimethylphenoxy)acetyl]amino]oxolane-3-carboxylic acid

C15H19NO5 — CID 66221815

IUPAC4-[[2-(2,6-dimethylphenoxy)acetyl]amino]oxolane-3-carboxylic acid
SMILESCc1cccc(C)c1OCC(=O)NC1COCC1C(=O)O
InChIInChI=1S/C15H19NO5/c1-9-4-3-5-10(2)14(9)21-8-13(17)16-12-7-20-6-11(12)15(18)19/h3-5,11-12H,6-8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyWOWRUEXZBSPDCM-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.90
Rot. Bonds5

About 4-[[2-(2,6-dimethylphenoxy)acetyl]amino]oxolane-3-carboxylic acid

4-[[2-(2,6-dimethylphenoxy)acetyl]amino]oxolane-3-carboxylic acid (PubChem CID 66221815) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 4-[[2-(2,6-dimethylphenoxy)acetyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(2,6-dimethylphenoxy)acetyl]amino]oxolane-3-carboxylic acid
PubChem CID66221815
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name4-[[2-(2,6-dimethylphenoxy)acetyl]amino]oxolane-3-carboxylic acid
SMILESCc1cccc(C)c1OCC(=O)NC1COCC1C(=O)O
InChIInChI=1S/C15H19NO5/c1-9-4-3-5-10(2)14(9)21-8-13(17)16-12-7-20-6-11(12)15(18)19/h3-5,11-12H,6-8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyWOWRUEXZBSPDCM-UHFFFAOYSA-N
XLogP0.90
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(2,3-dimethylphenoxy)acetyl]amino]oxolane-3-carboxylic acid
CID 66221192
4-[[2-(2,5-dimethylphenoxy)acetyl]amino]oxolane-3-carboxylic acid
CID 66223571
4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]oxolane-3-carboxylic acid
CID 66222245
2-(2,6-dimethylphenoxy)-N-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]acetamide
CID 154763226
N-(2,3-dimethylcyclohexyl)-2-(2,6-dimethylphenoxy)acetamide
CID 42989465
4-(4-phenoxybutanoylamino)oxolane-3-carboxylic acid
CID 66221172
4-[[2-(3-hydroxyphenyl)acetyl]amino]oxolane-3-carboxylic acid
CID 66221632
N-[2-(aminomethyl)cyclopentyl]-2-(2,6-dimethylphenoxy)acetamide
CID 119605033
4-[2-(2-methylphenyl)ethylcarbamoylamino]oxolane-3-carboxylic acid
CID 79757146
[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(2,6-dimethylphenoxy)acetate
CID 8527913
N'-[2-(2,6-dimethylphenoxy)acetyl]-2-phenylacetohydrazide
CID 4503699
4-[3-(2-fluorophenoxy)propanoylamino]oxolane-3-carboxylic acid
CID 66220969

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,6-dimethylphenoxy)acetyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[[2-(2,6-dimethylphenoxy)acetyl]amino]oxolane-3-carboxylic acid (CID 66221815) is 4-[[2-(2,6-dimethylphenoxy)acetyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[[2-(2,6-dimethylphenoxy)acetyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[[2-(2,6-dimethylphenoxy)acetyl]amino]oxolane-3-carboxylic acid is Cc1cccc(C)c1OCC(=O)NC1COCC1C(=O)O.
What is the InChIKey of 4-[[2-(2,6-dimethylphenoxy)acetyl]amino]oxolane-3-carboxylic acid?
The InChIKey is WOWRUEXZBSPDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-9-4-3-5-10(2)14(9)21-8-13(17)16-12-7-20-6-11(12)15(18)19/h3-5,11-12H,6-8H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 4-[[2-(2,6-dimethylphenoxy)acetyl]amino]oxolane-3-carboxylic acid?
4-[[2-(2,6-dimethylphenoxy)acetyl]amino]oxolane-3-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2,6-dimethylphenoxy)acetyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66221815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).