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

C12H21NO3 — CID 114631025

IUPACN-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methyloxolane-2-carboxamide
SMILESCC1CCOC1C(=O)NC1CC(O)C1(C)C
InChIInChI=1S/C12H21NO3/c1-7-4-5-16-10(7)11(15)13-8-6-9(14)12(8,2)3/h7-10,14H,4-6H2,1-3H3,(H,13,15)
InChIKeyGXLXWWVDTRDDPP-UHFFFAOYSA-N
MW227.30 g/mol
LogP0.69
Rot. Bonds2

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

N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methyloxolane-2-carboxamide (PubChem CID 114631025) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methyloxolane-2-carboxamide
PubChem CID114631025
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC NameN-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methyloxolane-2-carboxamide
SMILESCC1CCOC1C(=O)NC1CC(O)C1(C)C
InChIInChI=1S/C12H21NO3/c1-7-4-5-16-10(7)11(15)13-8-6-9(14)12(8,2)3/h7-10,14H,4-6H2,1-3H3,(H,13,15)
InChIKeyGXLXWWVDTRDDPP-UHFFFAOYSA-N
XLogP0.69
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylcyclopropane-1-carboxamide
CID 114630806
N-(3-hydroxy-2,2-dimethylcyclobutyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 114631386
N-[(1R,3R)-3-hydroxy-2,2-dimethylcyclobutyl]-4-oxocyclohexane-1-carboxamide
CID 129345421
(2R,3S)-3-methyloxolane-2-carbohydrazide
CID 91654556
N-(4-bromooxolan-3-yl)-3-methyloxolane-2-carboxamide
CID 130751487
N-(3-hydroxy-2,2-dimethylcyclobutyl)cyclopent-3-ene-1-carboxamide
CID 114630540
N-(3-hydroxy-2,2-dimethylcyclobutyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 114631288
N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-(oxan-2-yl)acetamide
CID 114631203
3-methyl-N-(4-methylpiperidin-4-yl)oxolane-2-carboxamide
CID 114696595
2,2-dimethyl-3-[(2-methyloxan-4-yl)amino]cyclobutan-1-ol
CID 115977876
N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-methylcyclopropane-1-carboxamide
CID 126973302
N-(3-hydroxy-2,2-dimethylcyclobutyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 114629668

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methyloxolane-2-carboxamide?
The IUPAC name of N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methyloxolane-2-carboxamide (CID 114631025) is N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methyloxolane-2-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methyloxolane-2-carboxamide?
The canonical SMILES for N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methyloxolane-2-carboxamide is CC1CCOC1C(=O)NC1CC(O)C1(C)C.
What is the InChIKey of N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methyloxolane-2-carboxamide?
The InChIKey is GXLXWWVDTRDDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-7-4-5-16-10(7)11(15)13-8-6-9(14)12(8,2)3/h7-10,14H,4-6H2,1-3H3,(H,13,15).
What are the key properties of N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methyloxolane-2-carboxamide?
N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methyloxolane-2-carboxamide has a molecular weight of 227.30 g/mol, XLogP of 0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methyloxolane-2-carboxamide is sourced from PubChem (CID 114631025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).