methyl 2-methyl-1,3-oxazolidine-2-carboxylate

C6H11NO3 — CID 45086649

IUPACmethyl 2-methyl-1,3-oxazolidine-2-carboxylate
SMILESCOC(=O)C1(C)NCCO1
InChIInChI=1S/C6H11NO3/c1-6(5(8)9-2)7-3-4-10-6/h7H,3-4H2,1-2H3
InChIKeyCYOJXCNQVBUUML-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.50
Rot. Bonds1

About methyl 2-methyl-1,3-oxazolidine-2-carboxylate

methyl 2-methyl-1,3-oxazolidine-2-carboxylate (PubChem CID 45086649) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is methyl 2-methyl-1,3-oxazolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-1,3-oxazolidine-2-carboxylate
PubChem CID45086649
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Namemethyl 2-methyl-1,3-oxazolidine-2-carboxylate
SMILESCOC(=O)C1(C)NCCO1
InChIInChI=1S/C6H11NO3/c1-6(5(8)9-2)7-3-4-10-6/h7H,3-4H2,1-2H3
InChIKeyCYOJXCNQVBUUML-UHFFFAOYSA-N
XLogP-0.50
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-methyl-1,3-oxazolidine-2-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

Ethyl 2-(trifluoromethyl)-1,3-oxazolidine-2-carboxylate
CID 155198953
Tert-butyl 5-oxo-1,3-oxazolidine-2-carboxylate
CID 17880540
(5S)-2,2-dimethyl-5-(methylamino)-1,3-dioxolan-4-one
CID 20584755
2,4-Dimethyl-1,3-oxazolidin-5-one
CID 23529460
(2R,5S)-5-methyl-1,3-oxazolidine-2-carboxylic acid
CID 53842554
Methyl 1,3-oxazolidine-2-carboxylate
CID 53999762
(4S)-2,2,4-trimethyl-1,3-oxazolidin-5-one
CID 55300836
2,4,4-Trimethyl-1,3-oxazolidin-5-one
CID 59305980
Tert-butyl 1,3-oxazolidine-2-carboxylate
CID 68811203
5-Methyl-1,3-oxazolidine-2-carboxylic acid
CID 70147146
(2S)-5-methyl-1,3-oxazolidine-2-carboxylic acid
CID 70267078
2,2,4-Trimethyl-1,3-oxazolidin-5-one
CID 76225614

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-1,3-oxazolidine-2-carboxylate?
The IUPAC name of methyl 2-methyl-1,3-oxazolidine-2-carboxylate (CID 45086649) is methyl 2-methyl-1,3-oxazolidine-2-carboxylate.
What is the SMILES notation for methyl 2-methyl-1,3-oxazolidine-2-carboxylate?
The canonical SMILES for methyl 2-methyl-1,3-oxazolidine-2-carboxylate is COC(=O)C1(C)NCCO1.
What is the InChIKey of methyl 2-methyl-1,3-oxazolidine-2-carboxylate?
The InChIKey is CYOJXCNQVBUUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-6(5(8)9-2)7-3-4-10-6/h7H,3-4H2,1-2H3.
What are the key properties of methyl 2-methyl-1,3-oxazolidine-2-carboxylate?
methyl 2-methyl-1,3-oxazolidine-2-carboxylate has a molecular weight of 145.16 g/mol, XLogP of -0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-1,3-oxazolidine-2-carboxylate is sourced from PubChem (CID 45086649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).