1-[3-(2-methylpropyl)cyclohexyl]azetidine-3-carboxylic acid

C14H25NO2 — CID 107430456

IUPAC1-[3-(2-methylpropyl)cyclohexyl]azetidine-3-carboxylic acid
SMILESCC(C)CC1CCCC(N2CC(C(=O)O)C2)C1
InChIInChI=1S/C14H25NO2/c1-10(2)6-11-4-3-5-13(7-11)15-8-12(9-15)14(16)17/h10-13H,3-9H2,1-2H3,(H,16,17)
InChIKeyFGONEQNNNNZJIV-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.61
Rot. Bonds4

About 1-[3-(2-methylpropyl)cyclohexyl]azetidine-3-carboxylic acid

1-[3-(2-methylpropyl)cyclohexyl]azetidine-3-carboxylic acid (PubChem CID 107430456) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-[3-(2-methylpropyl)cyclohexyl]azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-(2-methylpropyl)cyclohexyl]azetidine-3-carboxylic acid
PubChem CID107430456
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name1-[3-(2-methylpropyl)cyclohexyl]azetidine-3-carboxylic acid
SMILESCC(C)CC1CCCC(N2CC(C(=O)O)C2)C1
InChIInChI=1S/C14H25NO2/c1-10(2)6-11-4-3-5-13(7-11)15-8-12(9-15)14(16)17/h10-13H,3-9H2,1-2H3,(H,16,17)
InChIKeyFGONEQNNNNZJIV-UHFFFAOYSA-N
XLogP2.61
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-1-[3-(2-methylpropyl)cyclohexyl]pyrrolidine-3-carboxylic acid
CID 107430438
1-[3-(2-methylpropyl)cyclohexyl]azetidin-3-amine
CID 107429401
3-[1-[3-(2-methylpropyl)cyclohexyl]pyrrolidin-3-yl]propanoic acid
CID 107430477
2-[4-[3-(2-methylpropyl)cyclohexyl]-1,4-diazepan-1-yl]acetic acid
CID 107430433
3-[3-(2-methylpropyl)cyclohexyl]-3,9-diazabicyclo[4.2.1]nonane
CID 107429445
3-[1-[3-(2-methylpropyl)cyclohexyl]piperidin-2-yl]propanoic acid
CID 107430428
1-[3-(2-methylpropyl)cyclohexyl]ethanone
CID 107430523
1-(1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl)azetidine-3-carboxylic acid
CID 165477842
3-(4-methylpiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 79695493
2-[1-(3-methylcyclohexyl)azetidin-3-yl]acetic acid
CID 64617498
3-(3-ethylazetidin-1-yl)cyclopentane-1-carboxylic acid
CID 79689061
(1S)-1-methyl-3-(2-methylpropyl)cyclohexane
CID 140722932

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylpropyl)cyclohexyl]azetidine-3-carboxylic acid?
The IUPAC name of 1-[3-(2-methylpropyl)cyclohexyl]azetidine-3-carboxylic acid (CID 107430456) is 1-[3-(2-methylpropyl)cyclohexyl]azetidine-3-carboxylic acid.
What is the SMILES notation for 1-[3-(2-methylpropyl)cyclohexyl]azetidine-3-carboxylic acid?
The canonical SMILES for 1-[3-(2-methylpropyl)cyclohexyl]azetidine-3-carboxylic acid is CC(C)CC1CCCC(N2CC(C(=O)O)C2)C1.
What is the InChIKey of 1-[3-(2-methylpropyl)cyclohexyl]azetidine-3-carboxylic acid?
The InChIKey is FGONEQNNNNZJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-10(2)6-11-4-3-5-13(7-11)15-8-12(9-15)14(16)17/h10-13H,3-9H2,1-2H3,(H,16,17).
What are the key properties of 1-[3-(2-methylpropyl)cyclohexyl]azetidine-3-carboxylic acid?
1-[3-(2-methylpropyl)cyclohexyl]azetidine-3-carboxylic acid has a molecular weight of 239.36 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methylpropyl)cyclohexyl]azetidine-3-carboxylic acid is sourced from PubChem (CID 107430456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).