N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylpyrrolidine-3-carboxamide

C12H22N2O2 — CID 114629667

IUPACN-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylpyrrolidine-3-carboxamide
SMILESCC1(C(=O)NC2CC(O)C2(C)C)CCNC1
InChIInChI=1S/C12H22N2O2/c1-11(2)8(6-9(11)15)14-10(16)12(3)4-5-13-7-12/h8-9,13,15H,4-7H2,1-3H3,(H,14,16)
InChIKeyVPQKDKLDGOUPIT-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.26
Rot. Bonds2

About N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylpyrrolidine-3-carboxamide

N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylpyrrolidine-3-carboxamide (PubChem CID 114629667) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylpyrrolidine-3-carboxamide
PubChem CID114629667
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylpyrrolidine-3-carboxamide
SMILESCC1(C(=O)NC2CC(O)C2(C)C)CCNC1
InChIInChI=1S/C12H22N2O2/c1-11(2)8(6-9(11)15)14-10(16)12(3)4-5-13-7-12/h8-9,13,15H,4-7H2,1-3H3,(H,14,16)
InChIKeyVPQKDKLDGOUPIT-UHFFFAOYSA-N
XLogP0.26
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-methylcyclopropane-1-carboxamide
CID 126973302
N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylpyrrolidine-3-carboxamide
CID 63138598
3-methyl-N-(4-methylcyclohexyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119779385
N-(4-aminocyclohexyl)-3-methylpyrrolidine-3-carboxamide
CID 63142128
3-methyl-N-(thian-4-yl)pyrrolidine-3-carboxamide
CID 115738917
N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylcyclopropane-1-carboxamide
CID 114630806
3-methyl-N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119701111
3-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)pyrrolidine-3-carboxamide
CID 63139513
1-methyl-2-[(3-methylpiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 82763010
N-(2-ethylcyclohexyl)-3-methylpyrrolidine-3-carboxamide
CID 63139427
N-(cyclopropylmethyl)-3-methylpyrrolidine-3-carboxamide
CID 63140909
N-(3,3-dimethylbutan-2-yl)-3-methylpyrrolidine-3-carboxamide
CID 104828260

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylpyrrolidine-3-carboxamide (CID 114629667) is N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylpyrrolidine-3-carboxamide is CC1(C(=O)NC2CC(O)C2(C)C)CCNC1.
What is the InChIKey of N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylpyrrolidine-3-carboxamide?
The InChIKey is VPQKDKLDGOUPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-11(2)8(6-9(11)15)14-10(16)12(3)4-5-13-7-12/h8-9,13,15H,4-7H2,1-3H3,(H,14,16).
What are the key properties of N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylpyrrolidine-3-carboxamide?
N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylpyrrolidine-3-carboxamide has a molecular weight of 226.32 g/mol, XLogP of 0.26, 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)-3-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 114629667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).