3-[1-(3,3-dimethylbutanoyl)azetidin-3-yl]-1,3-oxazolidine-2,4-dione

C12H18N2O4 — CID 91814784

IUPAC3-[1-(3,3-dimethylbutanoyl)azetidin-3-yl]-1,3-oxazolidine-2,4-dione
SMILESCC(C)(C)CC(=O)N1CC(N2C(=O)COC2=O)C1
InChIInChI=1S/C12H18N2O4/c1-12(2,3)4-9(15)13-5-8(6-13)14-10(16)7-18-11(14)17/h8H,4-7H2,1-3H3
InChIKeyFDWHVHBARYOPRH-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.61
Rot. Bonds2

About 3-[1-(3,3-dimethylbutanoyl)azetidin-3-yl]-1,3-oxazolidine-2,4-dione

3-[1-(3,3-dimethylbutanoyl)azetidin-3-yl]-1,3-oxazolidine-2,4-dione (PubChem CID 91814784) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-[1-(3,3-dimethylbutanoyl)azetidin-3-yl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-(3,3-dimethylbutanoyl)azetidin-3-yl]-1,3-oxazolidine-2,4-dione
PubChem CID91814784
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name3-[1-(3,3-dimethylbutanoyl)azetidin-3-yl]-1,3-oxazolidine-2,4-dione
SMILESCC(C)(C)CC(=O)N1CC(N2C(=O)COC2=O)C1
InChIInChI=1S/C12H18N2O4/c1-12(2,3)4-9(15)13-5-8(6-13)14-10(16)7-18-11(14)17/h8H,4-7H2,1-3H3
InChIKeyFDWHVHBARYOPRH-UHFFFAOYSA-N
XLogP0.61
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(3,3-dimethylbutanoyl)azetidin-3-yl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-[1-(3,3-dimethylbutanoyl)azetidin-3-yl]-1,3-oxazolidine-2,4-dione (CID 91814784) is 3-[1-(3,3-dimethylbutanoyl)azetidin-3-yl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-[1-(3,3-dimethylbutanoyl)azetidin-3-yl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-[1-(3,3-dimethylbutanoyl)azetidin-3-yl]-1,3-oxazolidine-2,4-dione is CC(C)(C)CC(=O)N1CC(N2C(=O)COC2=O)C1.
What is the InChIKey of 3-[1-(3,3-dimethylbutanoyl)azetidin-3-yl]-1,3-oxazolidine-2,4-dione?
The InChIKey is FDWHVHBARYOPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-12(2,3)4-9(15)13-5-8(6-13)14-10(16)7-18-11(14)17/h8H,4-7H2,1-3H3.
What are the key properties of 3-[1-(3,3-dimethylbutanoyl)azetidin-3-yl]-1,3-oxazolidine-2,4-dione?
3-[1-(3,3-dimethylbutanoyl)azetidin-3-yl]-1,3-oxazolidine-2,4-dione has a molecular weight of 254.29 g/mol, XLogP of 0.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3,3-dimethylbutanoyl)azetidin-3-yl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 91814784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).