2-(propylcarbamoyl)cyclopropane-1-carboxylic acid

C8H13NO3 — CID 18434114

IUPAC2-(propylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESCCCNC(=O)C1CC1C(=O)O
InChIInChI=1S/C8H13NO3/c1-2-3-9-7(10)5-4-6(5)8(11)12/h5-6H,2-4H2,1H3,(H,9,10)(H,11,12)
InChIKeyMFJDMIIPBZYPEZ-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.23
Rot. Bonds4

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

2-(propylcarbamoyl)cyclopropane-1-carboxylic acid (PubChem CID 18434114) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 2-(propylcarbamoyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(propylcarbamoyl)cyclopropane-1-carboxylic acid
PubChem CID18434114
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name2-(propylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESCCCNC(=O)C1CC1C(=O)O
InChIInChI=1S/C8H13NO3/c1-2-3-9-7(10)5-4-6(5)8(11)12/h5-6H,2-4H2,1H3,(H,9,10)(H,11,12)
InChIKeyMFJDMIIPBZYPEZ-UHFFFAOYSA-N
XLogP0.23
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(propylcarbamoyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(propylcarbamoyl)cyclopropane-1-carboxylic acid (CID 18434114) is 2-(propylcarbamoyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(propylcarbamoyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(propylcarbamoyl)cyclopropane-1-carboxylic acid is CCCNC(=O)C1CC1C(=O)O.
What is the InChIKey of 2-(propylcarbamoyl)cyclopropane-1-carboxylic acid?
The InChIKey is MFJDMIIPBZYPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-2-3-9-7(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-(propylcarbamoyl)cyclopropane-1-carboxylic acid?
2-(propylcarbamoyl)cyclopropane-1-carboxylic acid has a molecular weight of 171.20 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylcarbamoyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 18434114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).