1-(2-ethyl-3-pyridinyl)cyclopropane-1-carboxylic acid

C11H13NO2 — CID 130055276

IUPAC1-(2-ethyl-3-pyridinyl)cyclopropane-1-carboxylic acid
SMILESCCc1ncccc1C1(C(=O)O)CC1
InChIInChI=1S/C11H13NO2/c1-2-9-8(4-3-7-12-9)11(5-6-11)10(13)14/h3-4,7H,2,5-6H2,1H3,(H,13,14)
InChIKeyPUFBYIVSYLZLKE-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.76
Rot. Bonds3

About 1-(2-ethyl-3-pyridinyl)cyclopropane-1-carboxylic acid

1-(2-ethyl-3-pyridinyl)cyclopropane-1-carboxylic acid (PubChem CID 130055276) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 1-(2-ethyl-3-pyridinyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-ethyl-3-pyridinyl)cyclopropane-1-carboxylic acid
PubChem CID130055276
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name1-(2-ethyl-3-pyridinyl)cyclopropane-1-carboxylic acid
SMILESCCc1ncccc1C1(C(=O)O)CC1
InChIInChI=1S/C11H13NO2/c1-2-9-8(4-3-7-12-9)11(5-6-11)10(13)14/h3-4,7H,2,5-6H2,1H3,(H,13,14)
InChIKeyPUFBYIVSYLZLKE-UHFFFAOYSA-N
XLogP1.76
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-furo[2,3-b]pyridin-3-ylcyclopropane-1-carboxylic acid
CID 84777115
1-(3-ethyl-4-pyridinyl)cyclopentane-1-carboxylic acid
CID 115008860
1-pyridin-2-ylcyclopropane-1-carboxylic acid;hydrochloride
CID 56604209
1-(3-fluoro-2-pyridinyl)cyclopropane-1-carboxylic acid
CID 84657708
2,3-diethylpyridine
CID 14747123
1-(2,5-diethylphenyl)cyclopropane-1-carboxylic acid
CID 117311145
1-[2-(2-methylpropyl)phenyl]cyclopropane-1-carboxylic acid
CID 105425261
1-benzyl-4-(2-bromo-3-pyridinyl)piperidine-4-carboxylic acid
CID 146265884
1-isoquinolin-8-ylcyclopentane-1-carboxylic acid
CID 117355312
1-[2-(2-hydroxypropan-2-yl)phenyl]cyclopropane-1-carboxylic acid
CID 117112248
4-(2-ethyl-3-pyridinyl)-6-methylpyridine-3-carboxylic acid
CID 143282268
1-(2-pentan-3-ylphenyl)cyclohexane-1-carboxylic acid
CID 117438771

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-3-pyridinyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(2-ethyl-3-pyridinyl)cyclopropane-1-carboxylic acid (CID 130055276) is 1-(2-ethyl-3-pyridinyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(2-ethyl-3-pyridinyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(2-ethyl-3-pyridinyl)cyclopropane-1-carboxylic acid is CCc1ncccc1C1(C(=O)O)CC1.
What is the InChIKey of 1-(2-ethyl-3-pyridinyl)cyclopropane-1-carboxylic acid?
The InChIKey is PUFBYIVSYLZLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-2-9-8(4-3-7-12-9)11(5-6-11)10(13)14/h3-4,7H,2,5-6H2,1H3,(H,13,14).
What are the key properties of 1-(2-ethyl-3-pyridinyl)cyclopropane-1-carboxylic acid?
1-(2-ethyl-3-pyridinyl)cyclopropane-1-carboxylic acid has a molecular weight of 191.23 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-3-pyridinyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 130055276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).