cyclobutane;oxocarbamic acid

C5H9NO3 — CID 88699374

IUPACcyclobutane;oxocarbamic acid
SMILESC1CCC1.O=NC(=O)O
InChIInChI=1S/C4H8.CHNO3/c1-2-4-3-1;3-1(4)2-5/h1-4H2;(H,3,4)
InChIKeySYTXLUKWZMFGSN-UHFFFAOYSA-N
MW131.13 g/mol
LogP1.99
Rot. Bonds

About cyclobutane;oxocarbamic acid

cyclobutane;oxocarbamic acid (PubChem CID 88699374) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is cyclobutane;oxocarbamic acid.

Molecular Properties

Compound Namecyclobutane;oxocarbamic acid
PubChem CID88699374
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Namecyclobutane;oxocarbamic acid
SMILESC1CCC1.O=NC(=O)O
InChIInChI=1S/C4H8.CHNO3/c1-2-4-3-1;3-1(4)2-5/h1-4H2;(H,3,4)
InChIKeySYTXLUKWZMFGSN-UHFFFAOYSA-N
XLogP1.99
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclobutane;oxocarbamic acid?
The IUPAC name of cyclobutane;oxocarbamic acid (CID 88699374) is cyclobutane;oxocarbamic acid.
What is the SMILES notation for cyclobutane;oxocarbamic acid?
The canonical SMILES for cyclobutane;oxocarbamic acid is C1CCC1.O=NC(=O)O.
What is the InChIKey of cyclobutane;oxocarbamic acid?
The InChIKey is SYTXLUKWZMFGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8.CHNO3/c1-2-4-3-1;3-1(4)2-5/h1-4H2;(H,3,4).
What are the key properties of cyclobutane;oxocarbamic acid?
cyclobutane;oxocarbamic acid has a molecular weight of 131.13 g/mol, XLogP of 1.99, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutane;oxocarbamic acid is sourced from PubChem (CID 88699374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).