2-(cyclopentyloxycarbamoyl)cyclopropane-1-carboxylic acid

C10H15NO4 — CID 83228700

IUPAC2-(cyclopentyloxycarbamoyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)NOC1CCCC1
InChIInChI=1S/C10H15NO4/c12-9(7-5-8(7)10(13)14)11-15-6-3-1-2-4-6/h6-8H,1-5H2,(H,11,12)(H,13,14)
InChIKeyMLARUDRCGKLIAG-UHFFFAOYSA-N
MW213.23 g/mol
LogP0.70
Rot. Bonds4

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

2-(cyclopentyloxycarbamoyl)cyclopropane-1-carboxylic acid (PubChem CID 83228700) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is 2-(cyclopentyloxycarbamoyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(cyclopentyloxycarbamoyl)cyclopropane-1-carboxylic acid
PubChem CID83228700
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name2-(cyclopentyloxycarbamoyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)NOC1CCCC1
InChIInChI=1S/C10H15NO4/c12-9(7-5-8(7)10(13)14)11-15-6-3-1-2-4-6/h6-8H,1-5H2,(H,11,12)(H,13,14)
InChIKeyMLARUDRCGKLIAG-UHFFFAOYSA-N
XLogP0.70
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 50.70
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-(cyclopentyloxycarbamoyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(cyclopentyloxycarbamoyl)cyclopropane-1-carboxylic acid (CID 83228700) is 2-(cyclopentyloxycarbamoyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(cyclopentyloxycarbamoyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(cyclopentyloxycarbamoyl)cyclopropane-1-carboxylic acid is O=C(O)C1CC1C(=O)NOC1CCCC1.
What is the InChIKey of 2-(cyclopentyloxycarbamoyl)cyclopropane-1-carboxylic acid?
The InChIKey is MLARUDRCGKLIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c12-9(7-5-8(7)10(13)14)11-15-6-3-1-2-4-6/h6-8H,1-5H2,(H,11,12)(H,13,14).
What are the key properties of 2-(cyclopentyloxycarbamoyl)cyclopropane-1-carboxylic acid?
2-(cyclopentyloxycarbamoyl)cyclopropane-1-carboxylic acid has a molecular weight of 213.23 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentyloxycarbamoyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 83228700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).