2-[4-(2-methyl-4-pyridinyl)cyclohexyl]propanoic acid

C15H21NO2 — CID 121318759

IUPAC2-[4-(2-methyl-4-pyridinyl)cyclohexyl]propanoic acid
SMILESCc1cc(C2CCC(C(C)C(=O)O)CC2)ccn1
InChIInChI=1S/C15H21NO2/c1-10-9-14(7-8-16-10)13-5-3-12(4-6-13)11(2)15(17)18/h7-9,11-13H,3-6H2,1-2H3,(H,17,18)
InChIKeyJJRRAUXBGHNGBH-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.38
Rot. Bonds3

About 2-[4-(2-methyl-4-pyridinyl)cyclohexyl]propanoic acid

2-[4-(2-methyl-4-pyridinyl)cyclohexyl]propanoic acid (PubChem CID 121318759) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[4-(2-methyl-4-pyridinyl)cyclohexyl]propanoic acid.

Molecular Properties

Compound Name2-[4-(2-methyl-4-pyridinyl)cyclohexyl]propanoic acid
PubChem CID121318759
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-[4-(2-methyl-4-pyridinyl)cyclohexyl]propanoic acid
SMILESCc1cc(C2CCC(C(C)C(=O)O)CC2)ccn1
InChIInChI=1S/C15H21NO2/c1-10-9-14(7-8-16-10)13-5-3-12(4-6-13)11(2)15(17)18/h7-9,11-13H,3-6H2,1-2H3,(H,17,18)
InChIKeyJJRRAUXBGHNGBH-UHFFFAOYSA-N
XLogP3.38
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-[4-(2-methyl-4-pyridinyl)cyclohexyl]propanoate
CID 121318744
(2R)-N-(4-methylphenyl)-2-[4-(2-methyl-4-pyridinyl)cyclohexyl]propanamide
CID 162028451
1-[4-(2-methyl-4-pyridinyl)cyclohexyl]ethanamine
CID 121318842
2-[4-(2-methyl-1-benzothiophen-5-yl)cyclohexyl]propanoic acid
CID 139372413
2-[4-(4-aminophenyl)cyclohexyl]propanoic acid
CID 68682139
4-(3,4-dimethylcyclohexyl)-2-methylpyridine
CID 166863584
1-[(3R)-3-(2-methyl-4-pyridinyl)piperidin-1-yl]ethanone
CID 95841320
1-(4-chlorophenyl)-3-[4-(2-methoxy-4-pyridinyl)cyclohexyl]butan-2-one
CID 158659568
4-cyclopropyl-N-(2-methylpropyl)pyridin-2-amine
CID 130920688
2-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]propanamide
CID 139934483
2-(4-cyclopropyl-2-pyridinyl)acetic acid
CID 118209456
4-chloro-N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]benzamide;ethane
CID 145078476

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methyl-4-pyridinyl)cyclohexyl]propanoic acid?
The IUPAC name of 2-[4-(2-methyl-4-pyridinyl)cyclohexyl]propanoic acid (CID 121318759) is 2-[4-(2-methyl-4-pyridinyl)cyclohexyl]propanoic acid.
What is the SMILES notation for 2-[4-(2-methyl-4-pyridinyl)cyclohexyl]propanoic acid?
The canonical SMILES for 2-[4-(2-methyl-4-pyridinyl)cyclohexyl]propanoic acid is Cc1cc(C2CCC(C(C)C(=O)O)CC2)ccn1.
What is the InChIKey of 2-[4-(2-methyl-4-pyridinyl)cyclohexyl]propanoic acid?
The InChIKey is JJRRAUXBGHNGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-10-9-14(7-8-16-10)13-5-3-12(4-6-13)11(2)15(17)18/h7-9,11-13H,3-6H2,1-2H3,(H,17,18).
What are the key properties of 2-[4-(2-methyl-4-pyridinyl)cyclohexyl]propanoic acid?
2-[4-(2-methyl-4-pyridinyl)cyclohexyl]propanoic acid has a molecular weight of 247.34 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methyl-4-pyridinyl)cyclohexyl]propanoic acid is sourced from PubChem (CID 121318759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).