1-(methylcarbamoyl)cyclobutane-1-carboxylic acid

C7H11NO3 — CID 50989026

IUPAC1-(methylcarbamoyl)cyclobutane-1-carboxylic acid
SMILESCNC(=O)C1(C(=O)O)CCC1
InChIInChI=1S/C7H11NO3/c1-8-5(9)7(6(10)11)3-2-4-7/h2-4H2,1H3,(H,8,9)(H,10,11)
InChIKeyFMRUUBKNZCITHU-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.01
Rot. Bonds2

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

1-(methylcarbamoyl)cyclobutane-1-carboxylic acid (PubChem CID 50989026) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 1-(methylcarbamoyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(methylcarbamoyl)cyclobutane-1-carboxylic acid
PubChem CID50989026
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name1-(methylcarbamoyl)cyclobutane-1-carboxylic acid
SMILESCNC(=O)C1(C(=O)O)CCC1
InChIInChI=1S/C7H11NO3/c1-8-5(9)7(6(10)11)3-2-4-7/h2-4H2,1H3,(H,8,9)(H,10,11)
InChIKeyFMRUUBKNZCITHU-UHFFFAOYSA-N
XLogP-0.01
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.01
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-(methylcarbamoyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(methylcarbamoyl)cyclobutane-1-carboxylic acid (CID 50989026) is 1-(methylcarbamoyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(methylcarbamoyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(methylcarbamoyl)cyclobutane-1-carboxylic acid is CNC(=O)C1(C(=O)O)CCC1.
What is the InChIKey of 1-(methylcarbamoyl)cyclobutane-1-carboxylic acid?
The InChIKey is FMRUUBKNZCITHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-8-5(9)7(6(10)11)3-2-4-7/h2-4H2,1H3,(H,8,9)(H,10,11).
What are the key properties of 1-(methylcarbamoyl)cyclobutane-1-carboxylic acid?
1-(methylcarbamoyl)cyclobutane-1-carboxylic acid has a molecular weight of 157.17 g/mol, XLogP of -0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylcarbamoyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 50989026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).