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

C15H19NO5 — CID 66221192

IUPAC4-[[2-(2,3-dimethylphenoxy)acetyl]amino]oxolane-3-carboxylic acid
SMILESCc1cccc(OCC(=O)NC2COCC2C(=O)O)c1C
InChIInChI=1S/C15H19NO5/c1-9-4-3-5-13(10(9)2)21-8-14(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)
InChIKeyNDKDEYQBNMXLKQ-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.90
Rot. Bonds5

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

4-[[2-(2,3-dimethylphenoxy)acetyl]amino]oxolane-3-carboxylic acid (PubChem CID 66221192) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 4-[[2-(2,3-dimethylphenoxy)acetyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(2,3-dimethylphenoxy)acetyl]amino]oxolane-3-carboxylic acid
PubChem CID66221192
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name4-[[2-(2,3-dimethylphenoxy)acetyl]amino]oxolane-3-carboxylic acid
SMILESCc1cccc(OCC(=O)NC2COCC2C(=O)O)c1C
InChIInChI=1S/C15H19NO5/c1-9-4-3-5-13(10(9)2)21-8-14(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)
InChIKeyNDKDEYQBNMXLKQ-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-(2,6-dimethylphenoxy)acetyl]amino]oxolane-3-carboxylic acid
CID 66221815
4-[[2-(2,5-dimethylphenoxy)acetyl]amino]oxolane-3-carboxylic acid
CID 66223571
2-(2,3-dimethylphenoxy)-N-(4-hydroxycyclohexyl)acetamide
CID 43389110
4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]oxolane-3-carboxylic acid
CID 66222245
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2,3-dimethylphenoxy)acetamide
CID 3414044
4-[3-(2-fluorophenoxy)propanoylamino]oxolane-3-carboxylic acid
CID 66220969
2-(2,3-dimethylphenoxy)-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 106124065
2-(2,3-dimethylphenoxy)-N-methoxyacetamide
CID 60717689
4-(4-phenoxybutanoylamino)oxolane-3-carboxylic acid
CID 66221172
N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-(2-methylphenoxy)acetamide;formic acid
CID 163341407
4-[[2-(3-hydroxyphenyl)acetyl]amino]oxolane-3-carboxylic acid
CID 66221632
(2S)-2-[[2-(2,3-dimethylphenoxy)acetyl]amino]propanoic acid
CID 9156872

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,3-dimethylphenoxy)acetyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[[2-(2,3-dimethylphenoxy)acetyl]amino]oxolane-3-carboxylic acid (CID 66221192) is 4-[[2-(2,3-dimethylphenoxy)acetyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[[2-(2,3-dimethylphenoxy)acetyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[[2-(2,3-dimethylphenoxy)acetyl]amino]oxolane-3-carboxylic acid is Cc1cccc(OCC(=O)NC2COCC2C(=O)O)c1C.
What is the InChIKey of 4-[[2-(2,3-dimethylphenoxy)acetyl]amino]oxolane-3-carboxylic acid?
The InChIKey is NDKDEYQBNMXLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-9-4-3-5-13(10(9)2)21-8-14(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-(2,3-dimethylphenoxy)acetyl]amino]oxolane-3-carboxylic acid?
4-[[2-(2,3-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-(2,3-dimethylphenoxy)acetyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66221192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).