4-[2-(4-chlorophenoxy)ethyl-methylamino]oxolane-3-carboxylic acid

C14H18ClNO4 — CID 66235220

IUPAC4-[2-(4-chlorophenoxy)ethyl-methylamino]oxolane-3-carboxylic acid
SMILESCN(CCOc1ccc(Cl)cc1)C1COCC1C(=O)O
InChIInChI=1S/C14H18ClNO4/c1-16(13-9-19-8-12(13)14(17)18)6-7-20-11-4-2-10(15)3-5-11/h2-5,12-13H,6-9H2,1H3,(H,17,18)
InChIKeyFGEMYIOIOQWUFS-UHFFFAOYSA-N
MW299.75 g/mol
LogP1.75
Rot. Bonds6

About 4-[2-(4-chlorophenoxy)ethyl-methylamino]oxolane-3-carboxylic acid

4-[2-(4-chlorophenoxy)ethyl-methylamino]oxolane-3-carboxylic acid (PubChem CID 66235220) has the molecular formula C14H18ClNO4 and a molecular weight of 299.75 g/mol. Its IUPAC name is 4-[2-(4-chlorophenoxy)ethyl-methylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[2-(4-chlorophenoxy)ethyl-methylamino]oxolane-3-carboxylic acid
PubChem CID66235220
Molecular FormulaC14H18ClNO4
Molecular Weight299.75 g/mol
Exact Mass299.09
IUPAC Name4-[2-(4-chlorophenoxy)ethyl-methylamino]oxolane-3-carboxylic acid
SMILESCN(CCOc1ccc(Cl)cc1)C1COCC1C(=O)O
InChIInChI=1S/C14H18ClNO4/c1-16(13-9-19-8-12(13)14(17)18)6-7-20-11-4-2-10(15)3-5-11/h2-5,12-13H,6-9H2,1H3,(H,17,18)
InChIKeyFGEMYIOIOQWUFS-UHFFFAOYSA-N
XLogP1.75
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.75
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-chlorophenoxy)ethyl-methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974426
2-[2-(4-chlorophenoxy)ethyl-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60952702
4-[methyl(3-phenoxypropanoyl)amino]oxolane-3-carboxylic acid
CID 66238376
4-[methyl(2-propoxyethyl)amino]oxolane-3-carboxylic acid
CID 106454746
4-[2-(2-chlorophenoxy)ethyl-ethylamino]oxolane-3-carboxylic acid
CID 66246288
4-[[2-(dimethylamino)-2-oxoethyl]-methylamino]oxolane-3-carboxylic acid
CID 66267848
4-[(2-chlorophenyl)methyl-methylamino]oxolane-3-carboxylic acid
CID 66237823
2-bromo-N-[2-(4-chlorophenoxy)ethyl]-N,2-dimethylpropanamide
CID 115649486
4-[(5-ethylthiophen-2-yl)methyl-methylamino]oxolane-3-carboxylic acid
CID 66237650
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-(methylamino)propanamide
CID 60718587
4-(aminomethyl)-N-[2-(4-chlorophenoxy)ethyl]-N-methyloxane-4-carboxamide;hydrochloride
CID 120918678
4-[[2-(4-methoxyphenyl)acetyl]-methylamino]oxolane-3-carboxylic acid
CID 66238179

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenoxy)ethyl-methylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[2-(4-chlorophenoxy)ethyl-methylamino]oxolane-3-carboxylic acid (CID 66235220) is 4-[2-(4-chlorophenoxy)ethyl-methylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[2-(4-chlorophenoxy)ethyl-methylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[2-(4-chlorophenoxy)ethyl-methylamino]oxolane-3-carboxylic acid is CN(CCOc1ccc(Cl)cc1)C1COCC1C(=O)O.
What is the InChIKey of 4-[2-(4-chlorophenoxy)ethyl-methylamino]oxolane-3-carboxylic acid?
The InChIKey is FGEMYIOIOQWUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO4/c1-16(13-9-19-8-12(13)14(17)18)6-7-20-11-4-2-10(15)3-5-11/h2-5,12-13H,6-9H2,1H3,(H,17,18).
What are the key properties of 4-[2-(4-chlorophenoxy)ethyl-methylamino]oxolane-3-carboxylic acid?
4-[2-(4-chlorophenoxy)ethyl-methylamino]oxolane-3-carboxylic acid has a molecular weight of 299.75 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenoxy)ethyl-methylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66235220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).