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

C12H14N2O2 — CID 66661793

IUPAC1-[6-(azetidin-1-yl)-3-pyridinyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc(N3CCC3)nc2)CC1
InChIInChI=1S/C12H14N2O2/c15-11(16)12(4-5-12)9-2-3-10(13-8-9)14-6-1-7-14/h2-3,8H,1,4-7H2,(H,15,16)
InChIKeySNTDDVHYILMWJZ-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.41
Rot. Bonds3

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

1-[6-(azetidin-1-yl)-3-pyridinyl]cyclopropane-1-carboxylic acid (PubChem CID 66661793) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-[6-(azetidin-1-yl)-3-pyridinyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[6-(azetidin-1-yl)-3-pyridinyl]cyclopropane-1-carboxylic acid
PubChem CID66661793
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name1-[6-(azetidin-1-yl)-3-pyridinyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc(N3CCC3)nc2)CC1
InChIInChI=1S/C12H14N2O2/c15-11(16)12(4-5-12)9-2-3-10(13-8-9)14-6-1-7-14/h2-3,8H,1,4-7H2,(H,15,16)
InChIKeySNTDDVHYILMWJZ-UHFFFAOYSA-N
XLogP1.41
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 ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(azetidin-1-yl)-3-pyridinyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[6-(azetidin-1-yl)-3-pyridinyl]cyclopropane-1-carboxylic acid (CID 66661793) is 1-[6-(azetidin-1-yl)-3-pyridinyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[6-(azetidin-1-yl)-3-pyridinyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[6-(azetidin-1-yl)-3-pyridinyl]cyclopropane-1-carboxylic acid is O=C(O)C1(c2ccc(N3CCC3)nc2)CC1.
What is the InChIKey of 1-[6-(azetidin-1-yl)-3-pyridinyl]cyclopropane-1-carboxylic acid?
The InChIKey is SNTDDVHYILMWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c15-11(16)12(4-5-12)9-2-3-10(13-8-9)14-6-1-7-14/h2-3,8H,1,4-7H2,(H,15,16).
What are the key properties of 1-[6-(azetidin-1-yl)-3-pyridinyl]cyclopropane-1-carboxylic acid?
1-[6-(azetidin-1-yl)-3-pyridinyl]cyclopropane-1-carboxylic acid has a molecular weight of 218.26 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(azetidin-1-yl)-3-pyridinyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 66661793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).