2-(2-pyridin-3-ylbutyl)cyclopropane-1-carboxylic acid

C13H17NO2 — CID 83929846

IUPAC2-(2-pyridin-3-ylbutyl)cyclopropane-1-carboxylic acid
SMILESCCC(CC1CC1C(=O)O)c1cccnc1
InChIInChI=1S/C13H17NO2/c1-2-9(10-4-3-5-14-8-10)6-11-7-12(11)13(15)16/h3-5,8-9,11-12H,2,6-7H2,1H3,(H,15,16)
InChIKeyPTJJERWKJMHHCK-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.69
Rot. Bonds5

About 2-(2-pyridin-3-ylbutyl)cyclopropane-1-carboxylic acid

2-(2-pyridin-3-ylbutyl)cyclopropane-1-carboxylic acid (PubChem CID 83929846) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-(2-pyridin-3-ylbutyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-pyridin-3-ylbutyl)cyclopropane-1-carboxylic acid
PubChem CID83929846
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2-(2-pyridin-3-ylbutyl)cyclopropane-1-carboxylic acid
SMILESCCC(CC1CC1C(=O)O)c1cccnc1
InChIInChI=1S/C13H17NO2/c1-2-9(10-4-3-5-14-8-10)6-11-7-12(11)13(15)16/h3-5,8-9,11-12H,2,6-7H2,1H3,(H,15,16)
InChIKeyPTJJERWKJMHHCK-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

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Related Compounds

2-(2-pyridin-2-ylbutyl)cyclopropane-1-carboxylic acid
CID 83930047
2-[2-(4-pentoxyphenyl)butyl]cyclopropane-1-carboxylic acid
CID 83932649
ethyl 3-pyridin-3-ylpentanoate
CID 171747994
2-[2-(2,5-dimethylphenyl)butyl]cyclopropane-1-carboxylic acid
CID 83928197
2-(1-pyridin-3-ylethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 54918472
4-methyl-2-[[(1S)-1-pyridin-3-ylethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 104919786
3-[(3S)-heptan-3-yl]pyridine
CID 134862290
3-methyl-2-pyridin-3-ylpentanoic acid
CID 80522853
2-(diethylamino)-2-pyridin-3-ylacetic acid
CID 43803724
cis-(1R,3S)-3-[[(1S)-1-pyridin-3-ylethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 124674627
2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]cyclopropane-1-carboxylic acid
CID 116968758
3-(1-pyridin-3-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66030232

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-3-ylbutyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(2-pyridin-3-ylbutyl)cyclopropane-1-carboxylic acid (CID 83929846) is 2-(2-pyridin-3-ylbutyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(2-pyridin-3-ylbutyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(2-pyridin-3-ylbutyl)cyclopropane-1-carboxylic acid is CCC(CC1CC1C(=O)O)c1cccnc1.
What is the InChIKey of 2-(2-pyridin-3-ylbutyl)cyclopropane-1-carboxylic acid?
The InChIKey is PTJJERWKJMHHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-2-9(10-4-3-5-14-8-10)6-11-7-12(11)13(15)16/h3-5,8-9,11-12H,2,6-7H2,1H3,(H,15,16).
What are the key properties of 2-(2-pyridin-3-ylbutyl)cyclopropane-1-carboxylic acid?
2-(2-pyridin-3-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-3-ylbutyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 83929846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).