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

C6H11NO3 — CID 11205827

IUPACmethyl 5-methyl-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)C1NCOC1C
InChIInChI=1S/C6H11NO3/c1-4-5(6(8)9-2)7-3-10-4/h4-5,7H,3H2,1-2H3
InChIKeyKFGDXZWJFGKGIF-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.51
Rot. Bonds1

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

methyl 5-methyl-1,3-oxazolidine-4-carboxylate (PubChem CID 11205827) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is methyl 5-methyl-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-1,3-oxazolidine-4-carboxylate
PubChem CID11205827
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Namemethyl 5-methyl-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)C1NCOC1C
InChIInChI=1S/C6H11NO3/c1-4-5(6(8)9-2)7-3-10-4/h4-5,7H,3H2,1-2H3
InChIKeyKFGDXZWJFGKGIF-UHFFFAOYSA-N
XLogP-0.51
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 ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-1,3-oxazolidine-4-carboxylate?
The IUPAC name of methyl 5-methyl-1,3-oxazolidine-4-carboxylate (CID 11205827) is methyl 5-methyl-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for methyl 5-methyl-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for methyl 5-methyl-1,3-oxazolidine-4-carboxylate is COC(=O)C1NCOC1C.
What is the InChIKey of methyl 5-methyl-1,3-oxazolidine-4-carboxylate?
The InChIKey is KFGDXZWJFGKGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-4-5(6(8)9-2)7-3-10-4/h4-5,7H,3H2,1-2H3.
What are the key properties of methyl 5-methyl-1,3-oxazolidine-4-carboxylate?
methyl 5-methyl-1,3-oxazolidine-4-carboxylate has a molecular weight of 145.16 g/mol, XLogP of -0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 11205827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).