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

C9H15NO4 — CID 64973987

IUPAC3-(ethoxycarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCCONC(=O)C1C(C(=O)O)C1(C)C
InChIInChI=1S/C9H15NO4/c1-4-14-10-7(11)5-6(8(12)13)9(5,2)3/h5-6H,4H2,1-3H3,(H,10,11)(H,12,13)
InChIKeyIVZYXNLJTLUHSL-UHFFFAOYSA-N
MW201.22 g/mol
LogP0.41
Rot. Bonds4

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

3-(ethoxycarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid (PubChem CID 64973987) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 3-(ethoxycarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name3-(ethoxycarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
PubChem CID64973987
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name3-(ethoxycarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCCONC(=O)C1C(C(=O)O)C1(C)C
InChIInChI=1S/C9H15NO4/c1-4-14-10-7(11)5-6(8(12)13)9(5,2)3/h5-6H,4H2,1-3H3,(H,10,11)(H,12,13)
InChIKeyIVZYXNLJTLUHSL-UHFFFAOYSA-N
XLogP0.41
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.41
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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Related Compounds

2,2-Dimethyl-3-(2,2,2-trifluoroethoxycarbamoyl)cyclopropane-1-carboxylic acid
CID 82706182
cis-(1R,3S)-2,2-dimethyl-3-(2,2,2-trifluoroethoxycarbamoyl)cyclopropane-1-carboxylic acid
CID 105640649
3-Carbamoyl-2,2-dimethylcyclopropanecarboxylic acid
CID 59306549
2-Carbamoyl-2,3-dimethylcyclopropane-1-carboxylic acid
CID 123610735
3-[Methoxy(methyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64835578
4-(Ethoxyamino)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 64973970
2-(Ethoxycarbamoyl)cyclopropane-1-carboxylic acid
CID 64974031
4-(Methoxyamino)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 64974109
3-(Methoxycarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64974131
2-(Methoxycarbamoyl)cyclopropane-1-carboxylic acid
CID 64974160
2-(2-Methoxyethoxycarbamoyl)cyclopropane-1-carboxylic acid
CID 82706087
2,2-Dimethyl-3-(2-methylpropoxycarbamoyl)cyclopropane-1-carboxylic acid
CID 82706368

Frequently Asked Questions

What is the IUPAC name of 3-(ethoxycarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of 3-(ethoxycarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid (CID 64973987) is 3-(ethoxycarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 3-(ethoxycarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for 3-(ethoxycarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid is CCONC(=O)C1C(C(=O)O)C1(C)C.
What is the InChIKey of 3-(ethoxycarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is IVZYXNLJTLUHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-4-14-10-7(11)5-6(8(12)13)9(5,2)3/h5-6H,4H2,1-3H3,(H,10,11)(H,12,13).
What are the key properties of 3-(ethoxycarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
3-(ethoxycarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 201.22 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxycarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 64973987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).