1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-methylcyclohexane-1-carboxylic acid

C14H23NO2 — CID 114996562

IUPAC1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-methylcyclohexane-1-carboxylic acid
SMILESCC1CCC(C(=O)O)(N2CC3CCC2C3)CC1
InChIInChI=1S/C14H23NO2/c1-10-4-6-14(7-5-10,13(16)17)15-9-11-2-3-12(15)8-11/h10-12H,2-9H2,1H3,(H,16,17)
InChIKeyFPVKIWBYQJZALW-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.50
Rot. Bonds2

About 1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-methylcyclohexane-1-carboxylic acid

1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-methylcyclohexane-1-carboxylic acid (PubChem CID 114996562) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-methylcyclohexane-1-carboxylic acid
PubChem CID114996562
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-methylcyclohexane-1-carboxylic acid
SMILESCC1CCC(C(=O)O)(N2CC3CCC2C3)CC1
InChIInChI=1S/C14H23NO2/c1-10-4-6-14(7-5-10,13(16)17)15-9-11-2-3-12(15)8-11/h10-12H,2-9H2,1H3,(H,16,17)
InChIKeyFPVKIWBYQJZALW-UHFFFAOYSA-N
XLogP2.50
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-azabicyclo[2.2.1]heptan-2-yl)cyclopentane-1-carboxylic acid
CID 114996091
4-(2-azabicyclo[2.2.1]heptan-2-yl)thiane-4-carboxylic acid
CID 114996885
4-methyl-1-(2-methylpiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 114994673
4-methyl-1-(3-methylpyrrolidin-1-yl)cyclohexane-1-carboxylic acid
CID 82235061
4-methyl-1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carboxylic acid
CID 79580790
(1R,4S)-2-cyclopropyl-2-azabicyclo[2.2.1]heptane-1-carbonyl chloride
CID 87078055
1-(2,5-dioxopyrrolidin-1-yl)-4-methylcyclohexane-1-carboxylic acid
CID 61291058
2-azabicyclo[2.2.1]heptan-2-yl-(1-methylcyclopropyl)methanone
CID 130635119
4-methyl-1-(4-oxo-1-pyridinyl)cyclohexane-1-carboxylic acid
CID 114992103
[1-(2-azabicyclo[2.2.1]heptan-2-yl)cyclododecyl]methanamine
CID 63471950
1-(3,5-dimethylpiperidin-1-yl)cyclopentane-1-carboxylic acid
CID 82235039
1-(2-azabicyclo[2.2.1]heptan-2-yl)-2,2-difluoroethanone
CID 103515712

Frequently Asked Questions

What is the IUPAC name of 1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-methylcyclohexane-1-carboxylic acid (CID 114996562) is 1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-methylcyclohexane-1-carboxylic acid is CC1CCC(C(=O)O)(N2CC3CCC2C3)CC1.
What is the InChIKey of 1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-methylcyclohexane-1-carboxylic acid?
The InChIKey is FPVKIWBYQJZALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-10-4-6-14(7-5-10,13(16)17)15-9-11-2-3-12(15)8-11/h10-12H,2-9H2,1H3,(H,16,17).
What are the key properties of 1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-methylcyclohexane-1-carboxylic acid?
1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-methylcyclohexane-1-carboxylic acid has a molecular weight of 237.34 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 114996562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).