2-[6-(azetidin-1-yl)-3-pyridinyl]cyclopropane-1-carboxylic acid

C12H14N2O2 — CID 141133223

IUPAC2-[6-(azetidin-1-yl)-3-pyridinyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1c1ccc(N2CCC2)nc1
InChIInChI=1S/C12H14N2O2/c15-12(16)10-6-9(10)8-2-3-11(13-7-8)14-4-1-5-14/h2-3,7,9-10H,1,4-6H2,(H,15,16)
InChIKeyNBNBMCFJYULCQY-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.48
Rot. Bonds3

About 2-[6-(azetidin-1-yl)-3-pyridinyl]cyclopropane-1-carboxylic acid

2-[6-(azetidin-1-yl)-3-pyridinyl]cyclopropane-1-carboxylic acid (PubChem CID 141133223) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-[6-(azetidin-1-yl)-3-pyridinyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[6-(azetidin-1-yl)-3-pyridinyl]cyclopropane-1-carboxylic acid
PubChem CID141133223
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name2-[6-(azetidin-1-yl)-3-pyridinyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1c1ccc(N2CCC2)nc1
InChIInChI=1S/C12H14N2O2/c15-12(16)10-6-9(10)8-2-3-11(13-7-8)14-4-1-5-14/h2-3,7,9-10H,1,4-6H2,(H,15,16)
InChIKeyNBNBMCFJYULCQY-UHFFFAOYSA-N
XLogP1.48
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azetidin-1-yl)-5-cyclopropylpyridine
CID 160845056
5-(2-propan-2-ylcyclopropyl)-2-pyrrolidin-1-ylpyridine
CID 170687910
6-piperidin-1-ylpyridine-3-carboxylic acid
CID 2794761
[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]-[(1R,2S)-2-phenylcyclopropyl]methanone
CID 97006519
trans-(1R,2R)-2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropane-1-carboxylic acid;dihydrochloride
CID 68710465
2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropane-1-carboxylic acid;dihydrochloride
CID 68710463
1-[6-(azetidin-1-yl)-3-pyridinyl]cyclopropane-1-carboxylic acid
CID 66661793
(1R)-2-(4-hydroxyphenyl)cyclopropane-1-carboxylic acid
CID 105437337
azetidin-1-yl-[(1R,2R)-2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]methanone;azetidin-1-yl-[(1S,2S)-2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]methanone
CID 159512184
cis-(1S,3R)-3-[[6-(azepan-1-yl)pyridine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120675336
3-[6-(azetidin-1-yl)-3-pyridinyl]piperidine-2,6-dione
CID 166113376
5-(azetidin-1-yl)pyrazine-2-carboxylic acid
CID 117102504

Frequently Asked Questions

What is the IUPAC name of 2-[6-(azetidin-1-yl)-3-pyridinyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[6-(azetidin-1-yl)-3-pyridinyl]cyclopropane-1-carboxylic acid (CID 141133223) is 2-[6-(azetidin-1-yl)-3-pyridinyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[6-(azetidin-1-yl)-3-pyridinyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[6-(azetidin-1-yl)-3-pyridinyl]cyclopropane-1-carboxylic acid is O=C(O)C1CC1c1ccc(N2CCC2)nc1.
What is the InChIKey of 2-[6-(azetidin-1-yl)-3-pyridinyl]cyclopropane-1-carboxylic acid?
The InChIKey is NBNBMCFJYULCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c15-12(16)10-6-9(10)8-2-3-11(13-7-8)14-4-1-5-14/h2-3,7,9-10H,1,4-6H2,(H,15,16).
What are the key properties of 2-[6-(azetidin-1-yl)-3-pyridinyl]cyclopropane-1-carboxylic acid?
2-[6-(azetidin-1-yl)-3-pyridinyl]cyclopropane-1-carboxylic acid has a molecular weight of 218.26 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(azetidin-1-yl)-3-pyridinyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 141133223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).