methyl 2-[(2R,4R)-3-(2-methoxy-2-oxoethyl)-4-methyl-2-propan-2-yl-1,3-oxazolidin-4-yl]acetate

C13H23NO5 — CID 70997180

IUPACmethyl 2-[(2R,4R)-3-(2-methoxy-2-oxoethyl)-4-methyl-2-propan-2-yl-1,3-oxazolidin-4-yl]acetate
SMILESCOC(=O)CN1[C@@H](C(C)C)OC[C@@]1(C)CC(=O)OC
InChIInChI=1S/C13H23NO5/c1-9(2)12-14(7-11(16)18-5)13(3,8-19-12)6-10(15)17-4/h9,12H,6-8H2,1-5H3/t12-,13-/m1/s1
InChIKeyQPSOTJXWVMYNGB-CHWSQXEVSA-N
MW273.33 g/mol
LogP0.80
Rot. Bonds5

About methyl 2-[(2R,4R)-3-(2-methoxy-2-oxoethyl)-4-methyl-2-propan-2-yl-1,3-oxazolidin-4-yl]acetate

methyl 2-[(2R,4R)-3-(2-methoxy-2-oxoethyl)-4-methyl-2-propan-2-yl-1,3-oxazolidin-4-yl]acetate (PubChem CID 70997180) has the molecular formula C13H23NO5 and a molecular weight of 273.33 g/mol. Its IUPAC name is methyl 2-[(2R,4R)-3-(2-methoxy-2-oxoethyl)-4-methyl-2-propan-2-yl-1,3-oxazolidin-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2R,4R)-3-(2-methoxy-2-oxoethyl)-4-methyl-2-propan-2-yl-1,3-oxazolidin-4-yl]acetate
PubChem CID70997180
Molecular FormulaC13H23NO5
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC Namemethyl 2-[(2R,4R)-3-(2-methoxy-2-oxoethyl)-4-methyl-2-propan-2-yl-1,3-oxazolidin-4-yl]acetate
SMILESCOC(=O)CN1[C@@H](C(C)C)OC[C@@]1(C)CC(=O)OC
InChIInChI=1S/C13H23NO5/c1-9(2)12-14(7-11(16)18-5)13(3,8-19-12)6-10(15)17-4/h9,12H,6-8H2,1-5H3/t12-,13-/m1/s1
InChIKeyQPSOTJXWVMYNGB-CHWSQXEVSA-N
XLogP0.80
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(2R,4R)-3-(2-methoxy-2-oxoethyl)-4-methyl-2-propan-2-yl-1,3-oxazolidin-4-yl]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R,4R)-3-(2-methoxy-2-oxoethyl)-4-methyl-2-propan-2-yl-1,3-oxazolidin-4-yl]acetate?
The IUPAC name of methyl 2-[(2R,4R)-3-(2-methoxy-2-oxoethyl)-4-methyl-2-propan-2-yl-1,3-oxazolidin-4-yl]acetate (CID 70997180) is methyl 2-[(2R,4R)-3-(2-methoxy-2-oxoethyl)-4-methyl-2-propan-2-yl-1,3-oxazolidin-4-yl]acetate.
What is the SMILES notation for methyl 2-[(2R,4R)-3-(2-methoxy-2-oxoethyl)-4-methyl-2-propan-2-yl-1,3-oxazolidin-4-yl]acetate?
The canonical SMILES for methyl 2-[(2R,4R)-3-(2-methoxy-2-oxoethyl)-4-methyl-2-propan-2-yl-1,3-oxazolidin-4-yl]acetate is COC(=O)CN1[C@@H](C(C)C)OC[C@@]1(C)CC(=O)OC.
What is the InChIKey of methyl 2-[(2R,4R)-3-(2-methoxy-2-oxoethyl)-4-methyl-2-propan-2-yl-1,3-oxazolidin-4-yl]acetate?
The InChIKey is QPSOTJXWVMYNGB-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H23NO5/c1-9(2)12-14(7-11(16)18-5)13(3,8-19-12)6-10(15)17-4/h9,12H,6-8H2,1-5H3/t12-,13-/m1/s1.
What are the key properties of methyl 2-[(2R,4R)-3-(2-methoxy-2-oxoethyl)-4-methyl-2-propan-2-yl-1,3-oxazolidin-4-yl]acetate?
methyl 2-[(2R,4R)-3-(2-methoxy-2-oxoethyl)-4-methyl-2-propan-2-yl-1,3-oxazolidin-4-yl]acetate has a molecular weight of 273.33 g/mol, XLogP of 0.80, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R,4R)-3-(2-methoxy-2-oxoethyl)-4-methyl-2-propan-2-yl-1,3-oxazolidin-4-yl]acetate is sourced from PubChem (CID 70997180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).