cyclobutylmethyl 3-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]azetidine-1-carboxylate

C13H18N2O5 — CID 122275018

IUPACcyclobutylmethyl 3-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]azetidine-1-carboxylate
SMILESO=C(OCC1CCC1)N1CC(CN2C(=O)COC2=O)C1
InChIInChI=1S/C13H18N2O5/c16-11-8-20-13(18)15(11)6-10-4-14(5-10)12(17)19-7-9-2-1-3-9/h9-10H,1-8H2
InChIKeyHIYJCUVXVIQIBP-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.83
Rot. Bonds4

About cyclobutylmethyl 3-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]azetidine-1-carboxylate

cyclobutylmethyl 3-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]azetidine-1-carboxylate (PubChem CID 122275018) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is cyclobutylmethyl 3-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]azetidine-1-carboxylate.

Molecular Properties

Compound Namecyclobutylmethyl 3-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]azetidine-1-carboxylate
PubChem CID122275018
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Namecyclobutylmethyl 3-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]azetidine-1-carboxylate
SMILESO=C(OCC1CCC1)N1CC(CN2C(=O)COC2=O)C1
InChIInChI=1S/C13H18N2O5/c16-11-8-20-13(18)15(11)6-10-4-14(5-10)12(17)19-7-9-2-1-3-9/h9-10H,1-8H2
InChIKeyHIYJCUVXVIQIBP-UHFFFAOYSA-N
XLogP0.83
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze cyclobutylmethyl 3-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]azetidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclobutylmethyl 3-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]azetidine-1-carboxylate?
The IUPAC name of cyclobutylmethyl 3-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]azetidine-1-carboxylate (CID 122275018) is cyclobutylmethyl 3-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]azetidine-1-carboxylate.
What is the SMILES notation for cyclobutylmethyl 3-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]azetidine-1-carboxylate?
The canonical SMILES for cyclobutylmethyl 3-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]azetidine-1-carboxylate is O=C(OCC1CCC1)N1CC(CN2C(=O)COC2=O)C1.
What is the InChIKey of cyclobutylmethyl 3-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]azetidine-1-carboxylate?
The InChIKey is HIYJCUVXVIQIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c16-11-8-20-13(18)15(11)6-10-4-14(5-10)12(17)19-7-9-2-1-3-9/h9-10H,1-8H2.
What are the key properties of cyclobutylmethyl 3-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]azetidine-1-carboxylate?
cyclobutylmethyl 3-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]azetidine-1-carboxylate has a molecular weight of 282.30 g/mol, XLogP of 0.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutylmethyl 3-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]azetidine-1-carboxylate is sourced from PubChem (CID 122275018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).