methyl 4-acetyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C9H15NO4 — CID 143439103

IUPACmethyl 4-acetyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCOC(=O)N1C(C(C)=O)COC1(C)C
InChIInChI=1S/C9H15NO4/c1-6(11)7-5-14-9(2,3)10(7)8(12)13-4/h7H,5H2,1-4H3
InChIKeyDVHDQVYCMQKSSQ-UHFFFAOYSA-N
MW201.22 g/mol
LogP0.78
Rot. Bonds1

About methyl 4-acetyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

methyl 4-acetyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 143439103) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is methyl 4-acetyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-acetyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID143439103
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Namemethyl 4-acetyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCOC(=O)N1C(C(C)=O)COC1(C)C
InChIInChI=1S/C9H15NO4/c1-6(11)7-5-14-9(2,3)10(7)8(12)13-4/h7H,5H2,1-4H3
InChIKeyDVHDQVYCMQKSSQ-UHFFFAOYSA-N
XLogP0.78
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 4-acetyl-2,2-dimethyl-1,3-oxazolidine-3-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 methyl 4-acetyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of methyl 4-acetyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 143439103) is methyl 4-acetyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for methyl 4-acetyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for methyl 4-acetyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is COC(=O)N1C(C(C)=O)COC1(C)C.
What is the InChIKey of methyl 4-acetyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is DVHDQVYCMQKSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-6(11)7-5-14-9(2,3)10(7)8(12)13-4/h7H,5H2,1-4H3.
What are the key properties of methyl 4-acetyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
methyl 4-acetyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 201.22 g/mol, XLogP of 0.78, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-acetyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 143439103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).