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

C8H13NO4 — CID 64974131

IUPAC3-(methoxycarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCONC(=O)C1C(C(=O)O)C1(C)C
InChIInChI=1S/C8H13NO4/c1-8(2)4(5(8)7(11)12)6(10)9-13-3/h4-5H,1-3H3,(H,9,10)(H,11,12)
InChIKeyFKGWCZCLDZZPAA-UHFFFAOYSA-N
MW187.19 g/mol
LogP0.02
Rot. Bonds3

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

3-(methoxycarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid (PubChem CID 64974131) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is 3-(methoxycarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name3-(methoxycarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
PubChem CID64974131
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name3-(methoxycarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCONC(=O)C1C(C(=O)O)C1(C)C
InChIInChI=1S/C8H13NO4/c1-8(2)4(5(8)7(11)12)6(10)9-13-3/h4-5H,1-3H3,(H,9,10)(H,11,12)
InChIKeyFKGWCZCLDZZPAA-UHFFFAOYSA-N
XLogP0.02
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 50.02
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 3-(methoxycarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of 3-(methoxycarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid (CID 64974131) is 3-(methoxycarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 3-(methoxycarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for 3-(methoxycarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid is CONC(=O)C1C(C(=O)O)C1(C)C.
What is the InChIKey of 3-(methoxycarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is FKGWCZCLDZZPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4/c1-8(2)4(5(8)7(11)12)6(10)9-13-3/h4-5H,1-3H3,(H,9,10)(H,11,12).
What are the key properties of 3-(methoxycarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
3-(methoxycarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 187.19 g/mol, XLogP of 0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxycarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 64974131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).