2-cyclopropyl-3-(2-pyridin-4-ylethyl)oxolane-3-carboxylic acid

C15H19NO3 — CID 104509322

IUPAC2-cyclopropyl-3-(2-pyridin-4-ylethyl)oxolane-3-carboxylic acid
SMILESO=C(O)C1(CCc2ccncc2)CCOC1C1CC1
InChIInChI=1S/C15H19NO3/c17-14(18)15(6-3-11-4-8-16-9-5-11)7-10-19-13(15)12-1-2-12/h4-5,8-9,12-13H,1-3,6-7,10H2,(H,17,18)
InChIKeySZWBOUOYTMOLNI-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.28
Rot. Bonds5

About 2-cyclopropyl-3-(2-pyridin-4-ylethyl)oxolane-3-carboxylic acid

2-cyclopropyl-3-(2-pyridin-4-ylethyl)oxolane-3-carboxylic acid (PubChem CID 104509322) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-cyclopropyl-3-(2-pyridin-4-ylethyl)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-(2-pyridin-4-ylethyl)oxolane-3-carboxylic acid
PubChem CID104509322
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2-cyclopropyl-3-(2-pyridin-4-ylethyl)oxolane-3-carboxylic acid
SMILESO=C(O)C1(CCc2ccncc2)CCOC1C1CC1
InChIInChI=1S/C15H19NO3/c17-14(18)15(6-3-11-4-8-16-9-5-11)7-10-19-13(15)12-1-2-12/h4-5,8-9,12-13H,1-3,6-7,10H2,(H,17,18)
InChIKeySZWBOUOYTMOLNI-UHFFFAOYSA-N
XLogP2.28
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-(2-phenylethyl)oxolane-3-carboxylic acid
CID 114533705
2-cyclopropyl-3-(3-methoxypropyl)oxolane-3-carboxylic acid
CID 104509353
2-methyl-3-(2-pyridin-3-ylethyl)oxolane-3-carboxylic acid
CID 114533869
2-cyclopropyl-3-(3-ethylsulfonylpropyl)oxolane-3-carboxylic acid
CID 104509316
2-cyclopropyl-3-[(3-ethyl-1-methylpyrazol-5-yl)methyl]oxolane-3-carboxylic acid
CID 104509362
2-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]oxolane-3-carboxylic acid
CID 103005136
3-methyl-1-(2-pyridin-4-ylethyl)cyclohexane-1-carboxylic acid
CID 79425636
2-(2-pyridin-4-ylethyl)thiolane-2-carboxylic acid
CID 83174226
2-(2-pyridin-3-ylethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 79426066
cis-(1S,2R)-2-(pyridin-4-ylmethyl)cyclohexane-1-carboxylic acid
CID 57247235
(3S)-3-[(2S)-oxolan-2-yl]-N-(2-pyridin-4-ylethyl)-2-azaspiro[3.3]heptane-2-carboxamide
CID 125143346
3-methyl-1-(2-pyridin-4-ylethyl)piperidine-3-carboxylic acid
CID 63136416

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(2-pyridin-4-ylethyl)oxolane-3-carboxylic acid?
The IUPAC name of 2-cyclopropyl-3-(2-pyridin-4-ylethyl)oxolane-3-carboxylic acid (CID 104509322) is 2-cyclopropyl-3-(2-pyridin-4-ylethyl)oxolane-3-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-3-(2-pyridin-4-ylethyl)oxolane-3-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-3-(2-pyridin-4-ylethyl)oxolane-3-carboxylic acid is O=C(O)C1(CCc2ccncc2)CCOC1C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(2-pyridin-4-ylethyl)oxolane-3-carboxylic acid?
The InChIKey is SZWBOUOYTMOLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c17-14(18)15(6-3-11-4-8-16-9-5-11)7-10-19-13(15)12-1-2-12/h4-5,8-9,12-13H,1-3,6-7,10H2,(H,17,18).
What are the key properties of 2-cyclopropyl-3-(2-pyridin-4-ylethyl)oxolane-3-carboxylic acid?
2-cyclopropyl-3-(2-pyridin-4-ylethyl)oxolane-3-carboxylic acid has a molecular weight of 261.32 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(2-pyridin-4-ylethyl)oxolane-3-carboxylic acid is sourced from PubChem (CID 104509322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).