methyl N-[2-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propyl]carbamate

C9H16N2O4 — CID 110719419

IUPACmethyl N-[2-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propyl]carbamate
SMILESCOC(=O)NCC(C)(C)N1CCOC1=O
InChIInChI=1S/C9H16N2O4/c1-9(2,6-10-7(12)14-3)11-4-5-15-8(11)13/h4-6H2,1-3H3,(H,10,12)
InChIKeyCIDNMGUHAGHGOV-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.57
Rot. Bonds3

About methyl N-[2-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propyl]carbamate

methyl N-[2-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propyl]carbamate (PubChem CID 110719419) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is methyl N-[2-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propyl]carbamate
PubChem CID110719419
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Namemethyl N-[2-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propyl]carbamate
SMILESCOC(=O)NCC(C)(C)N1CCOC1=O
InChIInChI=1S/C9H16N2O4/c1-9(2,6-10-7(12)14-3)11-4-5-15-8(11)13/h4-6H2,1-3H3,(H,10,12)
InChIKeyCIDNMGUHAGHGOV-UHFFFAOYSA-N
XLogP0.57
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N-[2-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propyl]carbamate?
The IUPAC name of methyl N-[2-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propyl]carbamate (CID 110719419) is methyl N-[2-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propyl]carbamate.
What is the SMILES notation for methyl N-[2-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propyl]carbamate?
The canonical SMILES for methyl N-[2-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propyl]carbamate is COC(=O)NCC(C)(C)N1CCOC1=O.
What is the InChIKey of methyl N-[2-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propyl]carbamate?
The InChIKey is CIDNMGUHAGHGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-9(2,6-10-7(12)14-3)11-4-5-15-8(11)13/h4-6H2,1-3H3,(H,10,12).
What are the key properties of methyl N-[2-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propyl]carbamate?
methyl N-[2-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propyl]carbamate has a molecular weight of 216.24 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propyl]carbamate is sourced from PubChem (CID 110719419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).