2,2-dimethyl-3-(2-methylpropoxycarbamoyl)cyclopropane-1-carboxylic acid

C11H19NO4 — CID 82706368

IUPAC2,2-dimethyl-3-(2-methylpropoxycarbamoyl)cyclopropane-1-carboxylic acid
SMILESCC(C)CONC(=O)C1C(C(=O)O)C1(C)C
InChIInChI=1S/C11H19NO4/c1-6(2)5-16-12-9(13)7-8(10(14)15)11(7,3)4/h6-8H,5H2,1-4H3,(H,12,13)(H,14,15)
InChIKeyCYLXXNRNESXLGQ-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.05
Rot. Bonds5

About 2,2-dimethyl-3-(2-methylpropoxycarbamoyl)cyclopropane-1-carboxylic acid

2,2-dimethyl-3-(2-methylpropoxycarbamoyl)cyclopropane-1-carboxylic acid (PubChem CID 82706368) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2-methylpropoxycarbamoyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-(2-methylpropoxycarbamoyl)cyclopropane-1-carboxylic acid
PubChem CID82706368
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name2,2-dimethyl-3-(2-methylpropoxycarbamoyl)cyclopropane-1-carboxylic acid
SMILESCC(C)CONC(=O)C1C(C(=O)O)C1(C)C
InChIInChI=1S/C11H19NO4/c1-6(2)5-16-12-9(13)7-8(10(14)15)11(7,3)4/h6-8H,5H2,1-4H3,(H,12,13)(H,14,15)
InChIKeyCYLXXNRNESXLGQ-UHFFFAOYSA-N
XLogP1.05
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(2-methylpropoxycarbamoyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2,2-dimethyl-3-(2-methylpropoxycarbamoyl)cyclopropane-1-carboxylic acid (CID 82706368) is 2,2-dimethyl-3-(2-methylpropoxycarbamoyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2,2-dimethyl-3-(2-methylpropoxycarbamoyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2,2-dimethyl-3-(2-methylpropoxycarbamoyl)cyclopropane-1-carboxylic acid is CC(C)CONC(=O)C1C(C(=O)O)C1(C)C.
What is the InChIKey of 2,2-dimethyl-3-(2-methylpropoxycarbamoyl)cyclopropane-1-carboxylic acid?
The InChIKey is CYLXXNRNESXLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-6(2)5-16-12-9(13)7-8(10(14)15)11(7,3)4/h6-8H,5H2,1-4H3,(H,12,13)(H,14,15).
What are the key properties of 2,2-dimethyl-3-(2-methylpropoxycarbamoyl)cyclopropane-1-carboxylic acid?
2,2-dimethyl-3-(2-methylpropoxycarbamoyl)cyclopropane-1-carboxylic acid has a molecular weight of 229.28 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2-methylpropoxycarbamoyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 82706368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).