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

C15H20ClNO4 — CID 66246288

IUPAC4-[2-(2-chlorophenoxy)ethyl-ethylamino]oxolane-3-carboxylic acid
SMILESCCN(CCOc1ccccc1Cl)C1COCC1C(=O)O
InChIInChI=1S/C15H20ClNO4/c1-2-17(13-10-20-9-11(13)15(18)19)7-8-21-14-6-4-3-5-12(14)16/h3-6,11,13H,2,7-10H2,1H3,(H,18,19)
InChIKeyBIQDQYWSMFKTSN-UHFFFAOYSA-N
MW313.78 g/mol
LogP2.14
Rot. Bonds7

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

4-[2-(2-chlorophenoxy)ethyl-ethylamino]oxolane-3-carboxylic acid (PubChem CID 66246288) has the molecular formula C15H20ClNO4 and a molecular weight of 313.78 g/mol. Its IUPAC name is 4-[2-(2-chlorophenoxy)ethyl-ethylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[2-(2-chlorophenoxy)ethyl-ethylamino]oxolane-3-carboxylic acid
PubChem CID66246288
Molecular FormulaC15H20ClNO4
Molecular Weight313.78 g/mol
Exact Mass313.11
IUPAC Name4-[2-(2-chlorophenoxy)ethyl-ethylamino]oxolane-3-carboxylic acid
SMILESCCN(CCOc1ccccc1Cl)C1COCC1C(=O)O
InChIInChI=1S/C15H20ClNO4/c1-2-17(13-10-20-9-11(13)15(18)19)7-8-21-14-6-4-3-5-12(14)16/h3-6,11,13H,2,7-10H2,1H3,(H,18,19)
InChIKeyBIQDQYWSMFKTSN-UHFFFAOYSA-N
XLogP2.14
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[2-(2-chlorophenoxy)ethyl-ethylamino]oxolane-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-ethoxypropyl(ethyl)amino]oxolane-3-carboxylic acid
CID 66246291
4-[2-(4-chlorophenoxy)ethyl-methylamino]oxolane-3-carboxylic acid
CID 66235220
4-[ethyl(3-methylbutyl)amino]oxolane-3-carboxylic acid
CID 66245116
4-(2-chlorophenoxy)oxolane-3-carboxylic acid
CID 83488051
4-[(3-chloro-4-fluorophenyl)methyl-ethylamino]oxolane-3-carboxylic acid
CID 81157408
4-[ethyl(2-pyrrolidin-1-ylethyl)amino]oxolane-3-carboxylic acid
CID 66244916
N-[2-(2-chlorophenoxy)ethyl]-N-ethylaniline
CID 54482087
2-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylbutanamide
CID 54869980
2-[carboxymethyl-[2-(2-chlorophenoxy)ethyl]amino]acetic acid
CID 63646826
4-[(2-methylphenyl)methyl-propylamino]oxolane-3-carboxylic acid
CID 66254196
(2S)-2-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylpropanamide
CID 93368333
4-[ethyl-[3-(ethylamino)-3-oxopropyl]amino]oxolane-3-carboxylic acid
CID 66247672

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-chlorophenoxy)ethyl-ethylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[2-(2-chlorophenoxy)ethyl-ethylamino]oxolane-3-carboxylic acid (CID 66246288) is 4-[2-(2-chlorophenoxy)ethyl-ethylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[2-(2-chlorophenoxy)ethyl-ethylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[2-(2-chlorophenoxy)ethyl-ethylamino]oxolane-3-carboxylic acid is CCN(CCOc1ccccc1Cl)C1COCC1C(=O)O.
What is the InChIKey of 4-[2-(2-chlorophenoxy)ethyl-ethylamino]oxolane-3-carboxylic acid?
The InChIKey is BIQDQYWSMFKTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO4/c1-2-17(13-10-20-9-11(13)15(18)19)7-8-21-14-6-4-3-5-12(14)16/h3-6,11,13H,2,7-10H2,1H3,(H,18,19).
What are the key properties of 4-[2-(2-chlorophenoxy)ethyl-ethylamino]oxolane-3-carboxylic acid?
4-[2-(2-chlorophenoxy)ethyl-ethylamino]oxolane-3-carboxylic acid has a molecular weight of 313.78 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-chlorophenoxy)ethyl-ethylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66246288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).