2-[1-(2,6-dimethylcyclohexyl)azetidin-3-yl]propanoic acid

C14H25NO2 — CID 116684450

IUPAC2-[1-(2,6-dimethylcyclohexyl)azetidin-3-yl]propanoic acid
SMILESCC1CCCC(C)C1N1CC(C(C)C(=O)O)C1
InChIInChI=1S/C14H25NO2/c1-9-5-4-6-10(2)13(9)15-7-12(8-15)11(3)14(16)17/h9-13H,4-8H2,1-3H3,(H,16,17)
InChIKeyOGQUJEJTUXCART-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.46
Rot. Bonds3

About 2-[1-(2,6-dimethylcyclohexyl)azetidin-3-yl]propanoic acid

2-[1-(2,6-dimethylcyclohexyl)azetidin-3-yl]propanoic acid (PubChem CID 116684450) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-[1-(2,6-dimethylcyclohexyl)azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-(2,6-dimethylcyclohexyl)azetidin-3-yl]propanoic acid
PubChem CID116684450
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name2-[1-(2,6-dimethylcyclohexyl)azetidin-3-yl]propanoic acid
SMILESCC1CCCC(C)C1N1CC(C(C)C(=O)O)C1
InChIInChI=1S/C14H25NO2/c1-9-5-4-6-10(2)13(9)15-7-12(8-15)11(3)14(16)17/h9-13H,4-8H2,1-3H3,(H,16,17)
InChIKeyOGQUJEJTUXCART-UHFFFAOYSA-N
XLogP2.46
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-dimethylcyclohexyl)azetidine-3-carboxylic acid
CID 65072053
2-[1-(2-hydroxycyclopentyl)azetidin-3-yl]propanoic acid
CID 116684067
2-[4-(2,6-dimethylcyclohexyl)piperazin-1-yl]propanoic acid
CID 65062610
2-[1-(3-cyclopropylcyclohexyl)azetidin-3-yl]propanoic acid
CID 116684571
2-[1-(1-methylpiperidin-3-yl)azetidin-3-yl]propanoic acid
CID 116684656
2-[1-(thian-3-yl)azetidin-3-yl]propanoic acid
CID 116684600
2-[1-(1,2-dimethylpiperidin-4-yl)azetidin-3-yl]propanoic acid
CID 116684717
3-(1-carboxyethyl)azetidine-1-carboxylic acid
CID 123935097
(2S)-2-[(1S,3R)-3-methylcyclohexyl]propanoic acid
CID 178159874
2-[1-(1-azabicyclo[3.2.1]octan-4-yl)azetidin-3-yl]propanoic acid
CID 105366228
2-[1-[cyclopropyl(3-methylbutyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116683147
(2R)-2-(4-methylcyclohexyl)propanoic acid
CID 96631531

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,6-dimethylcyclohexyl)azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-(2,6-dimethylcyclohexyl)azetidin-3-yl]propanoic acid (CID 116684450) is 2-[1-(2,6-dimethylcyclohexyl)azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-(2,6-dimethylcyclohexyl)azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-(2,6-dimethylcyclohexyl)azetidin-3-yl]propanoic acid is CC1CCCC(C)C1N1CC(C(C)C(=O)O)C1.
What is the InChIKey of 2-[1-(2,6-dimethylcyclohexyl)azetidin-3-yl]propanoic acid?
The InChIKey is OGQUJEJTUXCART-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-9-5-4-6-10(2)13(9)15-7-12(8-15)11(3)14(16)17/h9-13H,4-8H2,1-3H3,(H,16,17).
What are the key properties of 2-[1-(2,6-dimethylcyclohexyl)azetidin-3-yl]propanoic acid?
2-[1-(2,6-dimethylcyclohexyl)azetidin-3-yl]propanoic acid has a molecular weight of 239.36 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,6-dimethylcyclohexyl)azetidin-3-yl]propanoic acid is sourced from PubChem (CID 116684450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).