2-(3-pyridin-4-yloxolan-3-yl)acetic acid

C11H13NO3 — CID 83820200

IUPAC2-(3-pyridin-4-yloxolan-3-yl)acetic acid
SMILESO=C(O)CC1(c2ccncc2)CCOC1
InChIInChI=1S/C11H13NO3/c13-10(14)7-11(3-6-15-8-11)9-1-4-12-5-2-9/h1-2,4-5H,3,6-8H2,(H,13,14)
InChIKeyARHALROMCZPSAZ-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.21
Rot. Bonds3

About 2-(3-pyridin-4-yloxolan-3-yl)acetic acid

2-(3-pyridin-4-yloxolan-3-yl)acetic acid (PubChem CID 83820200) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-(3-pyridin-4-yloxolan-3-yl)acetic acid.

Molecular Properties

Compound Name2-(3-pyridin-4-yloxolan-3-yl)acetic acid
PubChem CID83820200
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name2-(3-pyridin-4-yloxolan-3-yl)acetic acid
SMILESO=C(O)CC1(c2ccncc2)CCOC1
InChIInChI=1S/C11H13NO3/c13-10(14)7-11(3-6-15-8-11)9-1-4-12-5-2-9/h1-2,4-5H,3,6-8H2,(H,13,14)
InChIKeyARHALROMCZPSAZ-UHFFFAOYSA-N
XLogP1.21
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(3-fluorophenyl)oxolan-3-yl]acetic acid
CID 83823159
2-(3-thiophen-2-yloxolan-3-yl)acetic acid
CID 83821135
(4-pyridin-4-yloxan-4-yl)methanamine
CID 80524202
2-(3-pyridin-2-yloxan-3-yl)acetic acid
CID 83822542
(3-pyridin-4-yloxetan-3-yl)methanamine
CID 83480468
[3-(4-bromophenyl)oxolan-3-yl]methanol
CID 142784119
2-[1-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]cyclopropyl]acetic acid
CID 117107684
2-[3-(4-ethylsulfanylphenyl)oxetan-3-yl]acetic acid
CID 116871876
2-[3-(1H-pyrrol-3-yl)oxetan-3-yl]acetic acid
CID 116871859
2-[1-(pyridin-4-ylmethyl)cyclopropyl]acetic acid
CID 82403497
[(3S)-3-(4-methoxyphenyl)oxolan-3-yl]methanol
CID 168870342
[3-(pyridin-4-ylamino)oxolan-3-yl]methanol
CID 130834966

Frequently Asked Questions

What is the IUPAC name of 2-(3-pyridin-4-yloxolan-3-yl)acetic acid?
The IUPAC name of 2-(3-pyridin-4-yloxolan-3-yl)acetic acid (CID 83820200) is 2-(3-pyridin-4-yloxolan-3-yl)acetic acid.
What is the SMILES notation for 2-(3-pyridin-4-yloxolan-3-yl)acetic acid?
The canonical SMILES for 2-(3-pyridin-4-yloxolan-3-yl)acetic acid is O=C(O)CC1(c2ccncc2)CCOC1.
What is the InChIKey of 2-(3-pyridin-4-yloxolan-3-yl)acetic acid?
The InChIKey is ARHALROMCZPSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c13-10(14)7-11(3-6-15-8-11)9-1-4-12-5-2-9/h1-2,4-5H,3,6-8H2,(H,13,14).
What are the key properties of 2-(3-pyridin-4-yloxolan-3-yl)acetic acid?
2-(3-pyridin-4-yloxolan-3-yl)acetic acid has a molecular weight of 207.23 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyridin-4-yloxolan-3-yl)acetic acid is sourced from PubChem (CID 83820200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).