4-[ethyl(2-pyridin-2-ylethyl)amino]oxolane-3-carboxylic acid

C14H20N2O3 — CID 66245310

IUPAC4-[ethyl(2-pyridin-2-ylethyl)amino]oxolane-3-carboxylic acid
SMILESCCN(CCc1ccccn1)C1COCC1C(=O)O
InChIInChI=1S/C14H20N2O3/c1-2-16(8-6-11-5-3-4-7-15-11)13-10-19-9-12(13)14(17)18/h3-5,7,12-13H,2,6,8-10H2,1H3,(H,17,18)
InChIKeyGNKCUWADMUKXQZ-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.05
Rot. Bonds6

About 4-[ethyl(2-pyridin-2-ylethyl)amino]oxolane-3-carboxylic acid

4-[ethyl(2-pyridin-2-ylethyl)amino]oxolane-3-carboxylic acid (PubChem CID 66245310) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-[ethyl(2-pyridin-2-ylethyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl(2-pyridin-2-ylethyl)amino]oxolane-3-carboxylic acid
PubChem CID66245310
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name4-[ethyl(2-pyridin-2-ylethyl)amino]oxolane-3-carboxylic acid
SMILESCCN(CCc1ccccn1)C1COCC1C(=O)O
InChIInChI=1S/C14H20N2O3/c1-2-16(8-6-11-5-3-4-7-15-11)13-10-19-9-12(13)14(17)18/h3-5,7,12-13H,2,6,8-10H2,1H3,(H,17,18)
InChIKeyGNKCUWADMUKXQZ-UHFFFAOYSA-N
XLogP1.05
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl(2-pyridin-2-ylethyl)amino]cyclopropane-1-carboxylic acid
CID 117042811
4-[2-(2-chlorophenoxy)ethyl-ethylamino]oxolane-3-carboxylic acid
CID 66246288
4-[propyl(1-pyridin-2-ylethyl)amino]oxolane-3-carboxylic acid
CID 66252339
4-[(3-methyl-2-pyridinyl)methyl-propylamino]oxolane-3-carboxylic acid
CID 115982215
4-[methyl(3-phenylpropyl)amino]oxolane-3-carboxylic acid
CID 66235785
4-[ethyl-[(2-methylpyrazol-3-yl)methyl]amino]oxolane-3-carboxylic acid
CID 66246701
N-methyl-4-(methylamino)-N-(2-pyridin-2-ylethyl)oxolane-3-carboxamide
CID 66267541
4-[2-cyanoethyl(ethyl)amino]oxolane-3-carboxylic acid
CID 66247455
4-[ethyl-(2-fluorobenzoyl)amino]oxolane-3-carboxylic acid
CID 66245238
4-[(2-methylphenyl)methyl-propylamino]oxolane-3-carboxylic acid
CID 66254196
4-[(2,3-dimethylphenyl)methyl-ethylamino]oxolane-3-carboxylic acid
CID 66246912
4-[ethyl-[(2-propylpyrazol-3-yl)methyl]amino]oxolane-3-carboxylic acid
CID 114558024

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(2-pyridin-2-ylethyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[ethyl(2-pyridin-2-ylethyl)amino]oxolane-3-carboxylic acid (CID 66245310) is 4-[ethyl(2-pyridin-2-ylethyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[ethyl(2-pyridin-2-ylethyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[ethyl(2-pyridin-2-ylethyl)amino]oxolane-3-carboxylic acid is CCN(CCc1ccccn1)C1COCC1C(=O)O.
What is the InChIKey of 4-[ethyl(2-pyridin-2-ylethyl)amino]oxolane-3-carboxylic acid?
The InChIKey is GNKCUWADMUKXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-2-16(8-6-11-5-3-4-7-15-11)13-10-19-9-12(13)14(17)18/h3-5,7,12-13H,2,6,8-10H2,1H3,(H,17,18).
What are the key properties of 4-[ethyl(2-pyridin-2-ylethyl)amino]oxolane-3-carboxylic acid?
4-[ethyl(2-pyridin-2-ylethyl)amino]oxolane-3-carboxylic acid has a molecular weight of 264.32 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(2-pyridin-2-ylethyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66245310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).