methyl (2S)-2-[[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxymethyl]pyrrolidine-1-carboxylate

C14H25NO5 — CID 69337077

IUPACmethyl (2S)-2-[[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxymethyl]pyrrolidine-1-carboxylate
SMILESCOC(=O)N1CCC[C@H]1COC(C)C(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO5/c1-10(12(16)20-14(2,3)4)19-9-11-7-6-8-15(11)13(17)18-5/h10-11H,6-9H2,1-5H3/t10?,11-/m0/s1
InChIKeyZAFOXVKGVAGZRE-DTIOYNMSSA-N
MW287.36 g/mol
LogP1.96
Rot. Bonds4

About methyl (2S)-2-[[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxymethyl]pyrrolidine-1-carboxylate

methyl (2S)-2-[[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxymethyl]pyrrolidine-1-carboxylate (PubChem CID 69337077) has the molecular formula C14H25NO5 and a molecular weight of 287.36 g/mol. Its IUPAC name is methyl (2S)-2-[[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxymethyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-2-[[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxymethyl]pyrrolidine-1-carboxylate
PubChem CID69337077
Molecular FormulaC14H25NO5
Molecular Weight287.36 g/mol
Exact Mass287.17
IUPAC Namemethyl (2S)-2-[[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxymethyl]pyrrolidine-1-carboxylate
SMILESCOC(=O)N1CCC[C@H]1COC(C)C(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO5/c1-10(12(16)20-14(2,3)4)19-9-11-7-6-8-15(11)13(17)18-5/h10-11H,6-9H2,1-5H3/t10?,11-/m0/s1
InChIKeyZAFOXVKGVAGZRE-DTIOYNMSSA-N
XLogP1.96
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl (2S)-2-[[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxymethyl]pyrrolidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl (2S)-2-(methoxymethyl)pyrrolidine-1-carboxylate;ethane
CID 142306510
tert-butyl 2-(aminomethyl)pyrrolidine-1-carboxylate
CID 2756484
tert-butyl 2-(aminooxymethyl)piperidine-1-carboxylate
CID 82040400
tert-butyl 2-(2-hydroxy-3-methoxy-3-oxopropyl)pyrrolidine-1-carboxylate
CID 134341292
tert-butyl (2S)-2-(difluoromethoxymethyl)piperidine-1-carboxylate
CID 134177579
tert-butyl (2R)-2-[(2S)-2-hydroxypropyl]pyrrolidine-1-carboxylate
CID 72724635
tert-butyl 2-(methylsulfanyloxymethyl)pyrrolidine-1-carboxylate
CID 70884119
tert-butyl 2-(2-aminopropyl)piperidine-1-carboxylate
CID 79549369
tert-butyl (2R)-2-(methylsulfonyloxymethyl)pyrrolidine-1-carboxylate
CID 13008759
tert-butyl (2S)-2-[[(E)-4-(4-methoxyphenyl)but-3-en-2-yl]oxymethyl]pyrrolidine-1-carboxylate
CID 135027771
tert-butyl 2-[[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 104578652
tert-butyl (2S)-2-(2-amino-2-oxoethyl)pyrrolidine-1-carboxylate
CID 129403343

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxymethyl]pyrrolidine-1-carboxylate?
The IUPAC name of methyl (2S)-2-[[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxymethyl]pyrrolidine-1-carboxylate (CID 69337077) is methyl (2S)-2-[[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxymethyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for methyl (2S)-2-[[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxymethyl]pyrrolidine-1-carboxylate?
The canonical SMILES for methyl (2S)-2-[[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxymethyl]pyrrolidine-1-carboxylate is COC(=O)N1CCC[C@H]1COC(C)C(=O)OC(C)(C)C.
What is the InChIKey of methyl (2S)-2-[[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxymethyl]pyrrolidine-1-carboxylate?
The InChIKey is ZAFOXVKGVAGZRE-DTIOYNMSSA-N. The full InChI is InChI=1S/C14H25NO5/c1-10(12(16)20-14(2,3)4)19-9-11-7-6-8-15(11)13(17)18-5/h10-11H,6-9H2,1-5H3/t10?,11-/m0/s1.
What are the key properties of methyl (2S)-2-[[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxymethyl]pyrrolidine-1-carboxylate?
methyl (2S)-2-[[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxymethyl]pyrrolidine-1-carboxylate has a molecular weight of 287.36 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxymethyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 69337077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).