6-(oxetan-3-ylmethoxy)-5-pyrrolidin-1-ylpyridine-2-carboxylic acid

C14H18N2O4 — CID 147994325

IUPAC6-(oxetan-3-ylmethoxy)-5-pyrrolidin-1-ylpyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(N2CCCC2)c(OCC2COC2)n1
InChIInChI=1S/C14H18N2O4/c17-14(18)11-3-4-12(16-5-1-2-6-16)13(15-11)20-9-10-7-19-8-10/h3-4,10H,1-2,5-9H2,(H,17,18)
InChIKeyIVRVCJIPJUNWIE-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.41
Rot. Bonds5

About 6-(oxetan-3-ylmethoxy)-5-pyrrolidin-1-ylpyridine-2-carboxylic acid

6-(oxetan-3-ylmethoxy)-5-pyrrolidin-1-ylpyridine-2-carboxylic acid (PubChem CID 147994325) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 6-(oxetan-3-ylmethoxy)-5-pyrrolidin-1-ylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(oxetan-3-ylmethoxy)-5-pyrrolidin-1-ylpyridine-2-carboxylic acid
PubChem CID147994325
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name6-(oxetan-3-ylmethoxy)-5-pyrrolidin-1-ylpyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(N2CCCC2)c(OCC2COC2)n1
InChIInChI=1S/C14H18N2O4/c17-14(18)11-3-4-12(16-5-1-2-6-16)13(15-11)20-9-10-7-19-8-10/h3-4,10H,1-2,5-9H2,(H,17,18)
InChIKeyIVRVCJIPJUNWIE-UHFFFAOYSA-N
XLogP1.41
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(cyclopropylmethoxy)-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridine-2-carboxylic acid
CID 118418710
2-(3-aminooxolan-3-yl)acetamide;6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxylic acid
CID 162622488
1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl-[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]methanone
CID 123443174
6-(cyclopropylmethoxy)-N-[2-(4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-5-pyrrolidin-1-ylpyridine-2-carboxamide
CID 71093688
methyl 6-(cyclopropylmethoxy)-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridine-2-carboxylate
CID 118418684
5-amino-6-(cyclopropylmethoxy)pyridine-2-carboxylic acid
CID 114408700
1-tert-butyl-1,3,3-trimethylurea;6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxylic acid
CID 90204423
2-(tert-butylamino)acetamide;6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxylic acid
CID 90204266
3-fluoropropyl (2S)-2-[[6-(cyclopropylmethoxy)-5-pyrrolidin-1-ylpyridine-2-carbonyl]amino]-4-methylpentanoate
CID 155797050
N-[(2S)-1-(3-fluoropropoxy)-4-methylpentan-2-yl]-5-(3-methoxyazetidin-1-yl)-6-(oxetan-3-ylmethoxy)pyridine-2-carboxamide
CID 150716959
6-(cyclopropylmethoxy)-5-(1-hydroxycyclobutyl)pyridine-2-carboxylic acid
CID 71087611
[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]-[(4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methanone
CID 118451444

Frequently Asked Questions

What is the IUPAC name of 6-(oxetan-3-ylmethoxy)-5-pyrrolidin-1-ylpyridine-2-carboxylic acid?
The IUPAC name of 6-(oxetan-3-ylmethoxy)-5-pyrrolidin-1-ylpyridine-2-carboxylic acid (CID 147994325) is 6-(oxetan-3-ylmethoxy)-5-pyrrolidin-1-ylpyridine-2-carboxylic acid.
What is the SMILES notation for 6-(oxetan-3-ylmethoxy)-5-pyrrolidin-1-ylpyridine-2-carboxylic acid?
The canonical SMILES for 6-(oxetan-3-ylmethoxy)-5-pyrrolidin-1-ylpyridine-2-carboxylic acid is O=C(O)c1ccc(N2CCCC2)c(OCC2COC2)n1.
What is the InChIKey of 6-(oxetan-3-ylmethoxy)-5-pyrrolidin-1-ylpyridine-2-carboxylic acid?
The InChIKey is IVRVCJIPJUNWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c17-14(18)11-3-4-12(16-5-1-2-6-16)13(15-11)20-9-10-7-19-8-10/h3-4,10H,1-2,5-9H2,(H,17,18).
What are the key properties of 6-(oxetan-3-ylmethoxy)-5-pyrrolidin-1-ylpyridine-2-carboxylic acid?
6-(oxetan-3-ylmethoxy)-5-pyrrolidin-1-ylpyridine-2-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxetan-3-ylmethoxy)-5-pyrrolidin-1-ylpyridine-2-carboxylic acid is sourced from PubChem (CID 147994325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).