2-(2-pyridin-2-ylbutyl)cyclopropane-1-carboxylic acid

C13H17NO2 — CID 83930047

IUPAC2-(2-pyridin-2-ylbutyl)cyclopropane-1-carboxylic acid
SMILESCCC(CC1CC1C(=O)O)c1ccccn1
InChIInChI=1S/C13H17NO2/c1-2-9(12-5-3-4-6-14-12)7-10-8-11(10)13(15)16/h3-6,9-11H,2,7-8H2,1H3,(H,15,16)
InChIKeyWGZIDDWDXNFILX-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.69
Rot. Bonds5

About 2-(2-pyridin-2-ylbutyl)cyclopropane-1-carboxylic acid

2-(2-pyridin-2-ylbutyl)cyclopropane-1-carboxylic acid (PubChem CID 83930047) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-(2-pyridin-2-ylbutyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-pyridin-2-ylbutyl)cyclopropane-1-carboxylic acid
PubChem CID83930047
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2-(2-pyridin-2-ylbutyl)cyclopropane-1-carboxylic acid
SMILESCCC(CC1CC1C(=O)O)c1ccccn1
InChIInChI=1S/C13H17NO2/c1-2-9(12-5-3-4-6-14-12)7-10-8-11(10)13(15)16/h3-6,9-11H,2,7-8H2,1H3,(H,15,16)
InChIKeyWGZIDDWDXNFILX-UHFFFAOYSA-N
XLogP2.69
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-pyridin-2-ylbutyl)cyclopropane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;2-pentan-3-ylpyridine
CID 142883968
2-[2-(2,5-dimethylphenyl)butyl]cyclopropane-1-carboxylic acid
CID 83928197
2-[2-(4-pentoxyphenyl)butyl]cyclopropane-1-carboxylic acid
CID 83932649
2-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)butyl]cyclopropane-1-carboxylic acid
CID 83931825
2-(1-pyridin-2-ylethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 54918518
methyl 2,2-dimethyl-4-pyridin-2-ylhexanoate
CID 58862789
2-(1-cyclopropylpropyl)pyridine
CID 154455035
2-[2-[2-methoxy-5-(trifluoromethyl)phenyl]butyl]cyclopropane-1-carboxylic acid
CID 83921148
2-methyl-1-(1-pyridin-2-ylethyl)pyrrolidine-3-carboxylic acid
CID 79383099
4-pyridin-2-ylheptanal
CID 88746457
cis-(1S,3R)-3-[[(1R)-2-methoxy-1-pyridin-2-ylethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 166284882
3-(1-pyridin-2-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66030429

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-2-ylbutyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(2-pyridin-2-ylbutyl)cyclopropane-1-carboxylic acid (CID 83930047) is 2-(2-pyridin-2-ylbutyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(2-pyridin-2-ylbutyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(2-pyridin-2-ylbutyl)cyclopropane-1-carboxylic acid is CCC(CC1CC1C(=O)O)c1ccccn1.
What is the InChIKey of 2-(2-pyridin-2-ylbutyl)cyclopropane-1-carboxylic acid?
The InChIKey is WGZIDDWDXNFILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-2-9(12-5-3-4-6-14-12)7-10-8-11(10)13(15)16/h3-6,9-11H,2,7-8H2,1H3,(H,15,16).
What are the key properties of 2-(2-pyridin-2-ylbutyl)cyclopropane-1-carboxylic acid?
2-(2-pyridin-2-ylbutyl)cyclopropane-1-carboxylic acid has a molecular weight of 219.28 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyridin-2-ylbutyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 83930047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).