cyclobutyloxycarbamic acid

C5H9NO3 — CID 87192144

IUPACcyclobutyloxycarbamic acid
SMILESO=C(O)NOC1CCC1
InChIInChI=1S/C5H9NO3/c7-5(8)6-9-4-2-1-3-4/h4,6H,1-3H2,(H,7,8)
InChIKeyZKYCXEXMLXHNJY-UHFFFAOYSA-N
MW131.13 g/mol
LogP0.74
Rot. Bonds2

About cyclobutyloxycarbamic acid

cyclobutyloxycarbamic acid (PubChem CID 87192144) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is cyclobutyloxycarbamic acid.

Molecular Properties

Compound Namecyclobutyloxycarbamic acid
PubChem CID87192144
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Namecyclobutyloxycarbamic acid
SMILESO=C(O)NOC1CCC1
InChIInChI=1S/C5H9NO3/c7-5(8)6-9-4-2-1-3-4/h4,6H,1-3H2,(H,7,8)
InChIKeyZKYCXEXMLXHNJY-UHFFFAOYSA-N
XLogP0.74
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 cyclobutyloxycarbamic acid?
The IUPAC name of cyclobutyloxycarbamic acid (CID 87192144) is cyclobutyloxycarbamic acid.
What is the SMILES notation for cyclobutyloxycarbamic acid?
The canonical SMILES for cyclobutyloxycarbamic acid is O=C(O)NOC1CCC1.
What is the InChIKey of cyclobutyloxycarbamic acid?
The InChIKey is ZKYCXEXMLXHNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3/c7-5(8)6-9-4-2-1-3-4/h4,6H,1-3H2,(H,7,8).
What are the key properties of cyclobutyloxycarbamic acid?
cyclobutyloxycarbamic acid has a molecular weight of 131.13 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyloxycarbamic acid is sourced from PubChem (CID 87192144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).