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

C8H15NO3 — CID 123254145

IUPACmethyl 2,2,5-trimethyl-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)C1NC(C)(C)OC1C
InChIInChI=1S/C8H15NO3/c1-5-6(7(10)11-4)9-8(2,3)12-5/h5-6,9H,1-4H3
InChIKeyVWFRSFHGOANAFG-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.27
Rot. Bonds1

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

methyl 2,2,5-trimethyl-1,3-oxazolidine-4-carboxylate (PubChem CID 123254145) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is methyl 2,2,5-trimethyl-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2,2,5-trimethyl-1,3-oxazolidine-4-carboxylate
PubChem CID123254145
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Namemethyl 2,2,5-trimethyl-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)C1NC(C)(C)OC1C
InChIInChI=1S/C8H15NO3/c1-5-6(7(10)11-4)9-8(2,3)12-5/h5-6,9H,1-4H3
InChIKeyVWFRSFHGOANAFG-UHFFFAOYSA-N
XLogP0.27
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2,2,5-trimethyl-1,3-oxazolidine-4-carboxylate?
The IUPAC name of methyl 2,2,5-trimethyl-1,3-oxazolidine-4-carboxylate (CID 123254145) is methyl 2,2,5-trimethyl-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for methyl 2,2,5-trimethyl-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for methyl 2,2,5-trimethyl-1,3-oxazolidine-4-carboxylate is COC(=O)C1NC(C)(C)OC1C.
What is the InChIKey of methyl 2,2,5-trimethyl-1,3-oxazolidine-4-carboxylate?
The InChIKey is VWFRSFHGOANAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-5-6(7(10)11-4)9-8(2,3)12-5/h5-6,9H,1-4H3.
What are the key properties of methyl 2,2,5-trimethyl-1,3-oxazolidine-4-carboxylate?
methyl 2,2,5-trimethyl-1,3-oxazolidine-4-carboxylate has a molecular weight of 173.21 g/mol, XLogP of 0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2,5-trimethyl-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 123254145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).