1-(cyclopropylcarbamoyl)cyclobutane-1-carboxylic acid

C9H13NO3 — CID 50990483

IUPAC1-(cyclopropylcarbamoyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)NC2CC2)CCC1
InChIInChI=1S/C9H13NO3/c11-7(10-6-2-3-6)9(8(12)13)4-1-5-9/h6H,1-5H2,(H,10,11)(H,12,13)
InChIKeyDEHYACBCPSCXRH-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.52
Rot. Bonds3

About 1-(cyclopropylcarbamoyl)cyclobutane-1-carboxylic acid

1-(cyclopropylcarbamoyl)cyclobutane-1-carboxylic acid (PubChem CID 50990483) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 1-(cyclopropylcarbamoyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopropylcarbamoyl)cyclobutane-1-carboxylic acid
PubChem CID50990483
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name1-(cyclopropylcarbamoyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)NC2CC2)CCC1
InChIInChI=1S/C9H13NO3/c11-7(10-6-2-3-6)9(8(12)13)4-1-5-9/h6H,1-5H2,(H,10,11)(H,12,13)
InChIKeyDEHYACBCPSCXRH-UHFFFAOYSA-N
XLogP0.52
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylcarbamoyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(cyclopropylcarbamoyl)cyclobutane-1-carboxylic acid (CID 50990483) is 1-(cyclopropylcarbamoyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(cyclopropylcarbamoyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(cyclopropylcarbamoyl)cyclobutane-1-carboxylic acid is O=C(O)C1(C(=O)NC2CC2)CCC1.
What is the InChIKey of 1-(cyclopropylcarbamoyl)cyclobutane-1-carboxylic acid?
The InChIKey is DEHYACBCPSCXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c11-7(10-6-2-3-6)9(8(12)13)4-1-5-9/h6H,1-5H2,(H,10,11)(H,12,13).
What are the key properties of 1-(cyclopropylcarbamoyl)cyclobutane-1-carboxylic acid?
1-(cyclopropylcarbamoyl)cyclobutane-1-carboxylic acid has a molecular weight of 183.21 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylcarbamoyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 50990483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).