methyl 5-methyl-2-oxo-1,3-oxazolidine-4-carboxylate

C6H9NO4 — CID 12781789

IUPACmethyl 5-methyl-2-oxo-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)C1NC(=O)OC1C
InChIInChI=1S/C6H9NO4/c1-3-4(5(8)10-2)7-6(9)11-3/h3-4H,1-2H3,(H,7,9)
InChIKeyZFMPPJBWITWSDQ-UHFFFAOYSA-N
MW159.14 g/mol
LogP-0.34
Rot. Bonds1

About methyl 5-methyl-2-oxo-1,3-oxazolidine-4-carboxylate

methyl 5-methyl-2-oxo-1,3-oxazolidine-4-carboxylate (PubChem CID 12781789) has the molecular formula C6H9NO4 and a molecular weight of 159.14 g/mol. Its IUPAC name is methyl 5-methyl-2-oxo-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-2-oxo-1,3-oxazolidine-4-carboxylate
PubChem CID12781789
Molecular FormulaC6H9NO4
Molecular Weight159.14 g/mol
Exact Mass159.05
IUPAC Namemethyl 5-methyl-2-oxo-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)C1NC(=O)OC1C
InChIInChI=1S/C6H9NO4/c1-3-4(5(8)10-2)7-6(9)11-3/h3-4H,1-2H3,(H,7,9)
InChIKeyZFMPPJBWITWSDQ-UHFFFAOYSA-N
XLogP-0.34
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 5-methyl-2-oxo-1,3-oxazolidine-4-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 5-methyl-2-oxo-1,3-oxazolidine-4-carboxylate?
The IUPAC name of methyl 5-methyl-2-oxo-1,3-oxazolidine-4-carboxylate (CID 12781789) is methyl 5-methyl-2-oxo-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for methyl 5-methyl-2-oxo-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for methyl 5-methyl-2-oxo-1,3-oxazolidine-4-carboxylate is COC(=O)C1NC(=O)OC1C.
What is the InChIKey of methyl 5-methyl-2-oxo-1,3-oxazolidine-4-carboxylate?
The InChIKey is ZFMPPJBWITWSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO4/c1-3-4(5(8)10-2)7-6(9)11-3/h3-4H,1-2H3,(H,7,9).
What are the key properties of methyl 5-methyl-2-oxo-1,3-oxazolidine-4-carboxylate?
methyl 5-methyl-2-oxo-1,3-oxazolidine-4-carboxylate has a molecular weight of 159.14 g/mol, XLogP of -0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-2-oxo-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 12781789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).