2-(3-pyridin-2-yloxan-3-yl)acetic acid

C12H15NO3 — CID 83822542

IUPAC2-(3-pyridin-2-yloxan-3-yl)acetic acid
SMILESO=C(O)CC1(c2ccccn2)CCCOC1
InChIInChI=1S/C12H15NO3/c14-11(15)8-12(5-3-7-16-9-12)10-4-1-2-6-13-10/h1-2,4,6H,3,5,7-9H2,(H,14,15)
InChIKeyHSCLMYSJJZQUIH-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.60
Rot. Bonds3

About 2-(3-pyridin-2-yloxan-3-yl)acetic acid

2-(3-pyridin-2-yloxan-3-yl)acetic acid (PubChem CID 83822542) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-(3-pyridin-2-yloxan-3-yl)acetic acid.

Molecular Properties

Compound Name2-(3-pyridin-2-yloxan-3-yl)acetic acid
PubChem CID83822542
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name2-(3-pyridin-2-yloxan-3-yl)acetic acid
SMILESO=C(O)CC1(c2ccccn2)CCCOC1
InChIInChI=1S/C12H15NO3/c14-11(15)8-12(5-3-7-16-9-12)10-4-1-2-6-13-10/h1-2,4,6H,3,5,7-9H2,(H,14,15)
InChIKeyHSCLMYSJJZQUIH-UHFFFAOYSA-N
XLogP1.60
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-pyridin-4-yloxolan-3-yl)acetic acid
CID 83820200
(3-phenyloxan-3-yl)methanol
CID 168870348
2-(1-pyridin-2-ylcyclobutyl)ethanol
CID 83683269
2-(3-thiophen-2-yloxolan-3-yl)acetic acid
CID 83821135
2-[1-(pyridin-2-ylmethyl)cyclopropyl]acetic acid
CID 82403496
2-[4-(dimethylamino)-1-hydroxy-4-pyridin-2-ylcyclohexyl]acetic acid
CID 67386014
2-[3-(3-fluorophenyl)oxolan-3-yl]acetic acid
CID 83823159
1,1-dimethyl-3-[(1-pyridin-2-ylcyclopentyl)methyl]urea
CID 110478720
3-oxo-N-[(1-pyridin-2-ylcyclopentyl)methyl]butanamide
CID 110477352
2-(3-phenyloxan-3-yl)ethanamine
CID 83819944
3-(quinolin-6-ylmethyl)oxane-3-carboxylic acid
CID 103719490
1-pyridin-2-ylcyclopropane-1-carboxylic acid;hydrochloride
CID 56604209

Frequently Asked Questions

What is the IUPAC name of 2-(3-pyridin-2-yloxan-3-yl)acetic acid?
The IUPAC name of 2-(3-pyridin-2-yloxan-3-yl)acetic acid (CID 83822542) is 2-(3-pyridin-2-yloxan-3-yl)acetic acid.
What is the SMILES notation for 2-(3-pyridin-2-yloxan-3-yl)acetic acid?
The canonical SMILES for 2-(3-pyridin-2-yloxan-3-yl)acetic acid is O=C(O)CC1(c2ccccn2)CCCOC1.
What is the InChIKey of 2-(3-pyridin-2-yloxan-3-yl)acetic acid?
The InChIKey is HSCLMYSJJZQUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c14-11(15)8-12(5-3-7-16-9-12)10-4-1-2-6-13-10/h1-2,4,6H,3,5,7-9H2,(H,14,15).
What are the key properties of 2-(3-pyridin-2-yloxan-3-yl)acetic acid?
2-(3-pyridin-2-yloxan-3-yl)acetic acid has a molecular weight of 221.26 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyridin-2-yloxan-3-yl)acetic acid is sourced from PubChem (CID 83822542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).