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

C8H15NO3 — CID 21015126

IUPACmethyl 2,2,3-trimethyl-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)C1COC(C)(C)N1C
InChIInChI=1S/C8H15NO3/c1-8(2)9(3)6(5-12-8)7(10)11-4/h6H,5H2,1-4H3
InChIKeyZTQRYLJQFOUWRX-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.23
Rot. Bonds1

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

methyl 2,2,3-trimethyl-1,3-oxazolidine-4-carboxylate (PubChem CID 21015126) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is methyl 2,2,3-trimethyl-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2,2,3-trimethyl-1,3-oxazolidine-4-carboxylate
PubChem CID21015126
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Namemethyl 2,2,3-trimethyl-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)C1COC(C)(C)N1C
InChIInChI=1S/C8H15NO3/c1-8(2)9(3)6(5-12-8)7(10)11-4/h6H,5H2,1-4H3
InChIKeyZTQRYLJQFOUWRX-UHFFFAOYSA-N
XLogP0.23
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2,2,3-trimethyl-1,3-oxazolidine-4-carboxylate?
The IUPAC name of methyl 2,2,3-trimethyl-1,3-oxazolidine-4-carboxylate (CID 21015126) is methyl 2,2,3-trimethyl-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for methyl 2,2,3-trimethyl-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for methyl 2,2,3-trimethyl-1,3-oxazolidine-4-carboxylate is COC(=O)C1COC(C)(C)N1C.
What is the InChIKey of methyl 2,2,3-trimethyl-1,3-oxazolidine-4-carboxylate?
The InChIKey is ZTQRYLJQFOUWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-8(2)9(3)6(5-12-8)7(10)11-4/h6H,5H2,1-4H3.
What are the key properties of methyl 2,2,3-trimethyl-1,3-oxazolidine-4-carboxylate?
methyl 2,2,3-trimethyl-1,3-oxazolidine-4-carboxylate has a molecular weight of 173.21 g/mol, XLogP of 0.23, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2,3-trimethyl-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 21015126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).