3-(dimethylcarbamoyl)-2,2-dimethylcyclobutane-1-carboxylic acid

C10H17NO3 — CID 77387151

IUPAC3-(dimethylcarbamoyl)-2,2-dimethylcyclobutane-1-carboxylic acid
SMILESCN(C)C(=O)C1CC(C(=O)O)C1(C)C
InChIInChI=1S/C10H17NO3/c1-10(2)6(8(12)11(3)4)5-7(10)9(13)14/h6-7H,5H2,1-4H3,(H,13,14)
InChIKeyALJRGNDWDJDWQG-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.82
Rot. Bonds2

About 3-(dimethylcarbamoyl)-2,2-dimethylcyclobutane-1-carboxylic acid

3-(dimethylcarbamoyl)-2,2-dimethylcyclobutane-1-carboxylic acid (PubChem CID 77387151) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 3-(dimethylcarbamoyl)-2,2-dimethylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-(dimethylcarbamoyl)-2,2-dimethylcyclobutane-1-carboxylic acid
PubChem CID77387151
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name3-(dimethylcarbamoyl)-2,2-dimethylcyclobutane-1-carboxylic acid
SMILESCN(C)C(=O)C1CC(C(=O)O)C1(C)C
InChIInChI=1S/C10H17NO3/c1-10(2)6(8(12)11(3)4)5-7(10)9(13)14/h6-7H,5H2,1-4H3,(H,13,14)
InChIKeyALJRGNDWDJDWQG-UHFFFAOYSA-N
XLogP0.82
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,3R)-1-N,1-N,3-N,3-N,2,2-hexamethyl-5-propan-2-ylcyclohexane-1,3-dicarboxamide
CID 131998414
2,2-dimethylcyclopentane-1,3-dicarboxylic acid
CID 5315650
cis-(1R,3S)-3-(hydroxymethyl)-2,2-dimethylcyclobutane-1-carboxylic acid
CID 45084905
3-[(E)-N-(carbamoylamino)-C-methylcarbonimidoyl]-2,2-dimethylcyclobutane-1-carboxylic acid
CID 23424248
N,N,2-trimethyl-2-nitrosocyclopropane-1-carboxamide
CID 88564364
N,N,3,3-tetramethylcyclobutane-1-carboxamide
CID 45123501
cis-(1S,3S)-2,2-dimethyl-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclobutane-1-carboxylic acid
CID 68592904
N,N,2,2-tetramethylcyclohexane-1-carboxamide
CID 107180263
(1R)-2,2,3-trimethylcyclopentane-1-carboxylic acid
CID 143623982
benzene;2,2-dimethylcyclopropane-1-carboxylic acid
CID 144977859
trans-(1R,3R)-3-(2,2-dichloroethenyl)-N,N,2,2-tetramethylcyclopropane-1-carboxamide
CID 125314568
(1R,2S,4S)-1-methylbicyclo[2.2.1]heptane-2-carboxylic acid
CID 98523902

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylcarbamoyl)-2,2-dimethylcyclobutane-1-carboxylic acid?
The IUPAC name of 3-(dimethylcarbamoyl)-2,2-dimethylcyclobutane-1-carboxylic acid (CID 77387151) is 3-(dimethylcarbamoyl)-2,2-dimethylcyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-(dimethylcarbamoyl)-2,2-dimethylcyclobutane-1-carboxylic acid?
The canonical SMILES for 3-(dimethylcarbamoyl)-2,2-dimethylcyclobutane-1-carboxylic acid is CN(C)C(=O)C1CC(C(=O)O)C1(C)C.
What is the InChIKey of 3-(dimethylcarbamoyl)-2,2-dimethylcyclobutane-1-carboxylic acid?
The InChIKey is ALJRGNDWDJDWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-10(2)6(8(12)11(3)4)5-7(10)9(13)14/h6-7H,5H2,1-4H3,(H,13,14).
What are the key properties of 3-(dimethylcarbamoyl)-2,2-dimethylcyclobutane-1-carboxylic acid?
3-(dimethylcarbamoyl)-2,2-dimethylcyclobutane-1-carboxylic acid has a molecular weight of 199.25 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylcarbamoyl)-2,2-dimethylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 77387151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).