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

C9H15NO3 — CID 64835167

IUPAC3-(dimethylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCN(C)C(=O)C1C(C(=O)O)C1(C)C
InChIInChI=1S/C9H15NO3/c1-9(2)5(6(9)8(12)13)7(11)10(3)4/h5-6H,1-4H3,(H,12,13)
InChIKeyGTRDXLCJOWVMNQ-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.43
Rot. Bonds2

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

3-(dimethylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid (PubChem CID 64835167) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 3-(dimethylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name3-(dimethylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
PubChem CID64835167
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name3-(dimethylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCN(C)C(=O)C1C(C(=O)O)C1(C)C
InChIInChI=1S/C9H15NO3/c1-9(2)5(6(9)8(12)13)7(11)10(3)4/h5-6H,1-4H3,(H,12,13)
InChIKeyGTRDXLCJOWVMNQ-UHFFFAOYSA-N
XLogP0.43
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of 3-(dimethylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid (CID 64835167) is 3-(dimethylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 3-(dimethylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for 3-(dimethylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid is CN(C)C(=O)C1C(C(=O)O)C1(C)C.
What is the InChIKey of 3-(dimethylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is GTRDXLCJOWVMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-9(2)5(6(9)8(12)13)7(11)10(3)4/h5-6H,1-4H3,(H,12,13).
What are the key properties of 3-(dimethylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
3-(dimethylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 185.22 g/mol, XLogP of 0.43, 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-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 64835167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).