1-(morpholin-4-ylcarbamoyl)cyclobutane-1-carboxylic acid

C10H16N2O4 — CID 83022686

IUPAC1-(morpholin-4-ylcarbamoyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)NN2CCOCC2)CCC1
InChIInChI=1S/C10H16N2O4/c13-8(10(9(14)15)2-1-3-10)11-12-4-6-16-7-5-12/h1-7H2,(H,11,13)(H,14,15)
InChIKeySLOYYVGQUDMFFA-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.40
Rot. Bonds3

About 1-(morpholin-4-ylcarbamoyl)cyclobutane-1-carboxylic acid

1-(morpholin-4-ylcarbamoyl)cyclobutane-1-carboxylic acid (PubChem CID 83022686) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 1-(morpholin-4-ylcarbamoyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(morpholin-4-ylcarbamoyl)cyclobutane-1-carboxylic acid
PubChem CID83022686
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name1-(morpholin-4-ylcarbamoyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)NN2CCOCC2)CCC1
InChIInChI=1S/C10H16N2O4/c13-8(10(9(14)15)2-1-3-10)11-12-4-6-16-7-5-12/h1-7H2,(H,11,13)(H,14,15)
InChIKeySLOYYVGQUDMFFA-UHFFFAOYSA-N
XLogP-0.40
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(morpholin-4-ylcarbamoyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(morpholin-4-ylcarbamoyl)cyclobutane-1-carboxylic acid (CID 83022686) is 1-(morpholin-4-ylcarbamoyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(morpholin-4-ylcarbamoyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(morpholin-4-ylcarbamoyl)cyclobutane-1-carboxylic acid is O=C(O)C1(C(=O)NN2CCOCC2)CCC1.
What is the InChIKey of 1-(morpholin-4-ylcarbamoyl)cyclobutane-1-carboxylic acid?
The InChIKey is SLOYYVGQUDMFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c13-8(10(9(14)15)2-1-3-10)11-12-4-6-16-7-5-12/h1-7H2,(H,11,13)(H,14,15).
What are the key properties of 1-(morpholin-4-ylcarbamoyl)cyclobutane-1-carboxylic acid?
1-(morpholin-4-ylcarbamoyl)cyclobutane-1-carboxylic acid has a molecular weight of 228.25 g/mol, XLogP of -0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(morpholin-4-ylcarbamoyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 83022686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).