N-(3-hydroxy-2,2-dimethylcyclobutyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide

C13H22N2O2 — CID 114629668

IUPACN-(3-hydroxy-2,2-dimethylcyclobutyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESCC1(C)C(O)CC1NC(=O)C1CC2CCC1N2
InChIInChI=1S/C13H22N2O2/c1-13(2)10(6-11(13)16)15-12(17)8-5-7-3-4-9(8)14-7/h7-11,14,16H,3-6H2,1-2H3,(H,15,17)
InChIKeyOYUGMGNSHDQIAT-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.40
Rot. Bonds2

About N-(3-hydroxy-2,2-dimethylcyclobutyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide

N-(3-hydroxy-2,2-dimethylcyclobutyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 114629668) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-(3-hydroxy-2,2-dimethylcyclobutyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2-dimethylcyclobutyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID114629668
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-(3-hydroxy-2,2-dimethylcyclobutyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESCC1(C)C(O)CC1NC(=O)C1CC2CCC1N2
InChIInChI=1S/C13H22N2O2/c1-13(2)10(6-11(13)16)15-12(17)8-5-7-3-4-9(8)14-7/h7-11,14,16H,3-6H2,1-2H3,(H,15,17)
InChIKeyOYUGMGNSHDQIAT-UHFFFAOYSA-N
XLogP0.40
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylcyclopropane-1-carboxamide
CID 114630806
N-(4-methylsulfanylcyclohexyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 114123022
N-(3-hydroxy-2,2-dimethylcyclobutyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 114631386
3-(7-azabicyclo[2.2.1]heptane-2-carbonylamino)cyclopentane-1-carboxylic acid
CID 66031370
methyl (1R,4S)-7-azabicyclo[2.2.1]heptane-2-carboxylate
CID 131071322
N-(3-hydroxy-2,2-dimethylcyclobutyl)cyclopent-3-ene-1-carboxamide
CID 114630540
N-(1-methyl-2-oxopyrrolidin-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 113266766
methyl 7-azabicyclo[2.2.1]heptane-2-carboxylate;hydrochloride
CID 75525587
N-(3-hydroxy-2,2-dimethylcyclobutyl)prop-2-enamide
CID 114629305
N-(2-ethylsulfinylethyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 115739349
N-[2-(dimethylsulfamoyl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 114175261
N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methyloxolane-2-carboxamide
CID 114631025

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2-dimethylcyclobutyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(3-hydroxy-2,2-dimethylcyclobutyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide (CID 114629668) is N-(3-hydroxy-2,2-dimethylcyclobutyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2,2-dimethylcyclobutyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(3-hydroxy-2,2-dimethylcyclobutyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide is CC1(C)C(O)CC1NC(=O)C1CC2CCC1N2.
What is the InChIKey of N-(3-hydroxy-2,2-dimethylcyclobutyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is OYUGMGNSHDQIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-13(2)10(6-11(13)16)15-12(17)8-5-7-3-4-9(8)14-7/h7-11,14,16H,3-6H2,1-2H3,(H,15,17).
What are the key properties of N-(3-hydroxy-2,2-dimethylcyclobutyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
N-(3-hydroxy-2,2-dimethylcyclobutyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 238.33 g/mol, XLogP of 0.40, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,2-dimethylcyclobutyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 114629668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).