4-[propyl(1-pyridin-2-ylethyl)amino]oxolane-3-carboxylic acid

C15H22N2O3 — CID 66252339

IUPAC4-[propyl(1-pyridin-2-ylethyl)amino]oxolane-3-carboxylic acid
SMILESCCCN(C(C)c1ccccn1)C1COCC1C(=O)O
InChIInChI=1S/C15H22N2O3/c1-3-8-17(11(2)13-6-4-5-7-16-13)14-10-20-9-12(14)15(18)19/h4-7,11-12,14H,3,8-10H2,1-2H3,(H,18,19)
InChIKeyONGGWQRAXMMASN-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.95
Rot. Bonds6

About 4-[propyl(1-pyridin-2-ylethyl)amino]oxolane-3-carboxylic acid

4-[propyl(1-pyridin-2-ylethyl)amino]oxolane-3-carboxylic acid (PubChem CID 66252339) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-[propyl(1-pyridin-2-ylethyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[propyl(1-pyridin-2-ylethyl)amino]oxolane-3-carboxylic acid
PubChem CID66252339
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name4-[propyl(1-pyridin-2-ylethyl)amino]oxolane-3-carboxylic acid
SMILESCCCN(C(C)c1ccccn1)C1COCC1C(=O)O
InChIInChI=1S/C15H22N2O3/c1-3-8-17(11(2)13-6-4-5-7-16-13)14-10-20-9-12(14)15(18)19/h4-7,11-12,14H,3,8-10H2,1-2H3,(H,18,19)
InChIKeyONGGWQRAXMMASN-UHFFFAOYSA-N
XLogP1.95
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[propyl(1-pyridin-2-ylethyl)amino]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-[propyl(1-pyrazin-2-ylethyl)amino]oxolane-3-carboxylic acid
CID 66252141
4-[ethyl(1-pyrazin-2-ylethyl)amino]oxolane-3-carboxylic acid
CID 66247498
4-[ethyl(2-pyridin-2-ylethyl)amino]oxolane-3-carboxylic acid
CID 66245310
4-[(2-iodobenzoyl)-propylamino]oxolane-3-carboxylic acid
CID 66253206
4-[(3-methyl-2-pyridinyl)methyl-propylamino]oxolane-3-carboxylic acid
CID 115982215
4-[1-cyclopentylethyl(propyl)amino]oxolane-3-carboxylic acid
CID 66252512
4-[(4-methylbenzoyl)-propylamino]oxolane-3-carboxylic acid
CID 66254149
4-[(2-hydroxyphenyl)methyl-propylamino]oxolane-3-carboxylic acid
CID 66253097
4-[[1-(carbamoylamino)-1-oxopropan-2-yl]-propylamino]oxolane-3-carboxylic acid
CID 66251302
4-[(2-methylphenyl)methyl-propylamino]oxolane-3-carboxylic acid
CID 66254196
4-[(1-ethylpyrrole-2-carbonyl)-propylamino]oxolane-3-carboxylic acid
CID 66251268
4-[1-(2,4-dichlorophenyl)ethyl-ethylamino]oxolane-3-carboxylic acid
CID 66247505

Frequently Asked Questions

What is the IUPAC name of 4-[propyl(1-pyridin-2-ylethyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[propyl(1-pyridin-2-ylethyl)amino]oxolane-3-carboxylic acid (CID 66252339) is 4-[propyl(1-pyridin-2-ylethyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[propyl(1-pyridin-2-ylethyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[propyl(1-pyridin-2-ylethyl)amino]oxolane-3-carboxylic acid is CCCN(C(C)c1ccccn1)C1COCC1C(=O)O.
What is the InChIKey of 4-[propyl(1-pyridin-2-ylethyl)amino]oxolane-3-carboxylic acid?
The InChIKey is ONGGWQRAXMMASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-8-17(11(2)13-6-4-5-7-16-13)14-10-20-9-12(14)15(18)19/h4-7,11-12,14H,3,8-10H2,1-2H3,(H,18,19).
What are the key properties of 4-[propyl(1-pyridin-2-ylethyl)amino]oxolane-3-carboxylic acid?
4-[propyl(1-pyridin-2-ylethyl)amino]oxolane-3-carboxylic acid has a molecular weight of 278.35 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[propyl(1-pyridin-2-ylethyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66252339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).