2-(methoxycarbamoyl)cyclopropane-1-carboxylic acid

C6H9NO4 — CID 64974160

IUPAC2-(methoxycarbamoyl)cyclopropane-1-carboxylic acid
SMILESCONC(=O)C1CC1C(=O)O
InChIInChI=1S/C6H9NO4/c1-11-7-5(8)3-2-4(3)6(9)10/h3-4H,2H2,1H3,(H,7,8)(H,9,10)
InChIKeyNNRCEPVVVSXEIQ-UHFFFAOYSA-N
MW159.14 g/mol
LogP-0.62
Rot. Bonds3

About 2-(methoxycarbamoyl)cyclopropane-1-carboxylic acid

2-(methoxycarbamoyl)cyclopropane-1-carboxylic acid (PubChem CID 64974160) has the molecular formula C6H9NO4 and a molecular weight of 159.14 g/mol. Its IUPAC name is 2-(methoxycarbamoyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(methoxycarbamoyl)cyclopropane-1-carboxylic acid
PubChem CID64974160
Molecular FormulaC6H9NO4
Molecular Weight159.14 g/mol
Exact Mass159.05
IUPAC Name2-(methoxycarbamoyl)cyclopropane-1-carboxylic acid
SMILESCONC(=O)C1CC1C(=O)O
InChIInChI=1S/C6H9NO4/c1-11-7-5(8)3-2-4(3)6(9)10/h3-4H,2H2,1H3,(H,7,8)(H,9,10)
InChIKeyNNRCEPVVVSXEIQ-UHFFFAOYSA-N
XLogP-0.62
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 5-0.62
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-(methoxycarbamoyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(methoxycarbamoyl)cyclopropane-1-carboxylic acid (CID 64974160) is 2-(methoxycarbamoyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(methoxycarbamoyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(methoxycarbamoyl)cyclopropane-1-carboxylic acid is CONC(=O)C1CC1C(=O)O.
What is the InChIKey of 2-(methoxycarbamoyl)cyclopropane-1-carboxylic acid?
The InChIKey is NNRCEPVVVSXEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO4/c1-11-7-5(8)3-2-4(3)6(9)10/h3-4H,2H2,1H3,(H,7,8)(H,9,10).
What are the key properties of 2-(methoxycarbamoyl)cyclopropane-1-carboxylic acid?
2-(methoxycarbamoyl)cyclopropane-1-carboxylic acid has a molecular weight of 159.14 g/mol, XLogP of -0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxycarbamoyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 64974160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).