2-(2-methoxyethoxycarbamoyl)cyclopropane-1-carboxylic acid

C8H13NO5 — CID 82706087

IUPAC2-(2-methoxyethoxycarbamoyl)cyclopropane-1-carboxylic acid
SMILESCOCCONC(=O)C1CC1C(=O)O
InChIInChI=1S/C8H13NO5/c1-13-2-3-14-9-7(10)5-4-6(5)8(11)12/h5-6H,2-4H2,1H3,(H,9,10)(H,11,12)
InChIKeyNXFCJAOWZOWGSM-UHFFFAOYSA-N
MW203.19 g/mol
LogP-0.60
Rot. Bonds6

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

2-(2-methoxyethoxycarbamoyl)cyclopropane-1-carboxylic acid (PubChem CID 82706087) has the molecular formula C8H13NO5 and a molecular weight of 203.19 g/mol. Its IUPAC name is 2-(2-methoxyethoxycarbamoyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-methoxyethoxycarbamoyl)cyclopropane-1-carboxylic acid
PubChem CID82706087
Molecular FormulaC8H13NO5
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC Name2-(2-methoxyethoxycarbamoyl)cyclopropane-1-carboxylic acid
SMILESCOCCONC(=O)C1CC1C(=O)O
InChIInChI=1S/C8H13NO5/c1-13-2-3-14-9-7(10)5-4-6(5)8(11)12/h5-6H,2-4H2,1H3,(H,9,10)(H,11,12)
InChIKeyNXFCJAOWZOWGSM-UHFFFAOYSA-N
XLogP-0.60
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxycarbamoyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(2-methoxyethoxycarbamoyl)cyclopropane-1-carboxylic acid (CID 82706087) is 2-(2-methoxyethoxycarbamoyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(2-methoxyethoxycarbamoyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(2-methoxyethoxycarbamoyl)cyclopropane-1-carboxylic acid is COCCONC(=O)C1CC1C(=O)O.
What is the InChIKey of 2-(2-methoxyethoxycarbamoyl)cyclopropane-1-carboxylic acid?
The InChIKey is NXFCJAOWZOWGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO5/c1-13-2-3-14-9-7(10)5-4-6(5)8(11)12/h5-6H,2-4H2,1H3,(H,9,10)(H,11,12).
What are the key properties of 2-(2-methoxyethoxycarbamoyl)cyclopropane-1-carboxylic acid?
2-(2-methoxyethoxycarbamoyl)cyclopropane-1-carboxylic acid has a molecular weight of 203.19 g/mol, XLogP of -0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxycarbamoyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 82706087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).