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

C15H27NO5 — CID 70997229

IUPACmethyl 2-[(2R,4R)-3-(2-methoxy-2-oxoethyl)-4-methyl-2-pentan-3-yl-1,3-oxazolidin-4-yl]acetate
SMILESCCC(CC)[C@H]1OC[C@@](C)(CC(=O)OC)N1CC(=O)OC
InChIInChI=1S/C15H27NO5/c1-6-11(7-2)14-16(9-13(18)20-5)15(3,10-21-14)8-12(17)19-4/h11,14H,6-10H2,1-5H3/t14-,15-/m1/s1
InChIKeyVTUSRUOHYGUDOA-HUUCEWRRSA-N
MW301.38 g/mol
LogP1.58
Rot. Bonds7

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

methyl 2-[(2R,4R)-3-(2-methoxy-2-oxoethyl)-4-methyl-2-pentan-3-yl-1,3-oxazolidin-4-yl]acetate (PubChem CID 70997229) has the molecular formula C15H27NO5 and a molecular weight of 301.38 g/mol. Its IUPAC name is methyl 2-[(2R,4R)-3-(2-methoxy-2-oxoethyl)-4-methyl-2-pentan-3-yl-1,3-oxazolidin-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2R,4R)-3-(2-methoxy-2-oxoethyl)-4-methyl-2-pentan-3-yl-1,3-oxazolidin-4-yl]acetate
PubChem CID70997229
Molecular FormulaC15H27NO5
Molecular Weight301.38 g/mol
Exact Mass301.19
IUPAC Namemethyl 2-[(2R,4R)-3-(2-methoxy-2-oxoethyl)-4-methyl-2-pentan-3-yl-1,3-oxazolidin-4-yl]acetate
SMILESCCC(CC)[C@H]1OC[C@@](C)(CC(=O)OC)N1CC(=O)OC
InChIInChI=1S/C15H27NO5/c1-6-11(7-2)14-16(9-13(18)20-5)15(3,10-21-14)8-12(17)19-4/h11,14H,6-10H2,1-5H3/t14-,15-/m1/s1
InChIKeyVTUSRUOHYGUDOA-HUUCEWRRSA-N
XLogP1.58
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(2R,4R)-3-(2-methoxy-2-oxoethyl)-4-methyl-2-pentan-3-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-pentan-3-yl-1,3-oxazolidin-4-yl]acetate?
The IUPAC name of methyl 2-[(2R,4R)-3-(2-methoxy-2-oxoethyl)-4-methyl-2-pentan-3-yl-1,3-oxazolidin-4-yl]acetate (CID 70997229) is methyl 2-[(2R,4R)-3-(2-methoxy-2-oxoethyl)-4-methyl-2-pentan-3-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-pentan-3-yl-1,3-oxazolidin-4-yl]acetate?
The canonical SMILES for methyl 2-[(2R,4R)-3-(2-methoxy-2-oxoethyl)-4-methyl-2-pentan-3-yl-1,3-oxazolidin-4-yl]acetate is CCC(CC)[C@H]1OC[C@@](C)(CC(=O)OC)N1CC(=O)OC.
What is the InChIKey of methyl 2-[(2R,4R)-3-(2-methoxy-2-oxoethyl)-4-methyl-2-pentan-3-yl-1,3-oxazolidin-4-yl]acetate?
The InChIKey is VTUSRUOHYGUDOA-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H27NO5/c1-6-11(7-2)14-16(9-13(18)20-5)15(3,10-21-14)8-12(17)19-4/h11,14H,6-10H2,1-5H3/t14-,15-/m1/s1.
What are the key properties of methyl 2-[(2R,4R)-3-(2-methoxy-2-oxoethyl)-4-methyl-2-pentan-3-yl-1,3-oxazolidin-4-yl]acetate?
methyl 2-[(2R,4R)-3-(2-methoxy-2-oxoethyl)-4-methyl-2-pentan-3-yl-1,3-oxazolidin-4-yl]acetate has a molecular weight of 301.38 g/mol, XLogP of 1.58, 7 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-pentan-3-yl-1,3-oxazolidin-4-yl]acetate is sourced from PubChem (CID 70997229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).