tert-butyl (3R)-3-[2-ethoxy-1-(4-methyl-1,3-dioxetan-2-yl)-2-oxoethyl]pyrrolidine-1-carboxylate

C16H27NO6 — CID 67989606

IUPACtert-butyl (3R)-3-[2-ethoxy-1-(4-methyl-1,3-dioxetan-2-yl)-2-oxoethyl]pyrrolidine-1-carboxylate
SMILESCCOC(=O)C(C1OC(C)O1)[C@H]1CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H27NO6/c1-6-20-13(18)12(14-21-10(2)22-14)11-7-8-17(9-11)15(19)23-16(3,4)5/h10-12,14H,6-9H2,1-5H3/t10?,11-,12?,14?/m0/s1
InChIKeyGWDSJMFMXJCCHM-BNBAWJKFSA-N
MW329.39 g/mol
LogP2.14
Rot. Bonds4

About tert-butyl (3R)-3-[2-ethoxy-1-(4-methyl-1,3-dioxetan-2-yl)-2-oxoethyl]pyrrolidine-1-carboxylate

tert-butyl (3R)-3-[2-ethoxy-1-(4-methyl-1,3-dioxetan-2-yl)-2-oxoethyl]pyrrolidine-1-carboxylate (PubChem CID 67989606) has the molecular formula C16H27NO6 and a molecular weight of 329.39 g/mol. Its IUPAC name is tert-butyl (3R)-3-[2-ethoxy-1-(4-methyl-1,3-dioxetan-2-yl)-2-oxoethyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[2-ethoxy-1-(4-methyl-1,3-dioxetan-2-yl)-2-oxoethyl]pyrrolidine-1-carboxylate
PubChem CID67989606
Molecular FormulaC16H27NO6
Molecular Weight329.39 g/mol
Exact Mass329.18
IUPAC Nametert-butyl (3R)-3-[2-ethoxy-1-(4-methyl-1,3-dioxetan-2-yl)-2-oxoethyl]pyrrolidine-1-carboxylate
SMILESCCOC(=O)C(C1OC(C)O1)[C@H]1CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H27NO6/c1-6-20-13(18)12(14-21-10(2)22-14)11-7-8-17(9-11)15(19)23-16(3,4)5/h10-12,14H,6-9H2,1-5H3/t10?,11-,12?,14?/m0/s1
InChIKeyGWDSJMFMXJCCHM-BNBAWJKFSA-N
XLogP2.14
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl (3R)-3-[2-ethoxy-1-(4-methyl-1,3-dioxetan-2-yl)-2-oxoethyl]pyrrolidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 3-(1-amino-3-ethoxy-3-oxopropyl)pyrrolidine-1-carboxylate
CID 24730216
tert-butyl (3S)-3-propan-2-ylpyrrolidine-1-carboxylate
CID 139452592
tert-butyl 3-(2-cyclobutyl-1-hydrazinylethyl)pyrrolidine-1-carboxylate
CID 107093178
tert-butyl 3-(1-aminopropan-2-yl)pyrrolidine-1-carboxylate
CID 82391180
tert-butyl 4-(2-ethoxy-1-iodo-2-oxoethyl)piperidine-1-carboxylate
CID 45357856
tert-butyl 3-(1-amino-2-ethoxyethyl)pyrrolidine-1-carboxylate
CID 107092558
tert-butyl 3-[(2R)-1-ethoxy-1-oxopropan-2-yl]azetidine-1-carboxylate
CID 97300225
tert-butyl (3S)-3-[(1S)-1-hydroxypropyl]pyrrolidine-1-carboxylate
CID 58104614
tert-butyl (3S)-3-[(2S)-1-amino-1-oxobutan-2-yl]pyrrolidine-1-carboxylate
CID 166105503
tert-butyl 4-(1,2-diethoxy-2-oxoethyl)piperidine-1-carboxylate
CID 177337295
tert-butyl 3-(1-aminononyl)pyrrolidine-1-carboxylate
CID 107092283
tert-butyl 3-[2-cyclopentyl-1-(methylamino)ethyl]pyrrolidine-1-carboxylate
CID 107092330

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[2-ethoxy-1-(4-methyl-1,3-dioxetan-2-yl)-2-oxoethyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[2-ethoxy-1-(4-methyl-1,3-dioxetan-2-yl)-2-oxoethyl]pyrrolidine-1-carboxylate (CID 67989606) is tert-butyl (3R)-3-[2-ethoxy-1-(4-methyl-1,3-dioxetan-2-yl)-2-oxoethyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[2-ethoxy-1-(4-methyl-1,3-dioxetan-2-yl)-2-oxoethyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[2-ethoxy-1-(4-methyl-1,3-dioxetan-2-yl)-2-oxoethyl]pyrrolidine-1-carboxylate is CCOC(=O)C(C1OC(C)O1)[C@H]1CCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl (3R)-3-[2-ethoxy-1-(4-methyl-1,3-dioxetan-2-yl)-2-oxoethyl]pyrrolidine-1-carboxylate?
The InChIKey is GWDSJMFMXJCCHM-BNBAWJKFSA-N. The full InChI is InChI=1S/C16H27NO6/c1-6-20-13(18)12(14-21-10(2)22-14)11-7-8-17(9-11)15(19)23-16(3,4)5/h10-12,14H,6-9H2,1-5H3/t10?,11-,12?,14?/m0/s1.
What are the key properties of tert-butyl (3R)-3-[2-ethoxy-1-(4-methyl-1,3-dioxetan-2-yl)-2-oxoethyl]pyrrolidine-1-carboxylate?
tert-butyl (3R)-3-[2-ethoxy-1-(4-methyl-1,3-dioxetan-2-yl)-2-oxoethyl]pyrrolidine-1-carboxylate has a molecular weight of 329.39 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[2-ethoxy-1-(4-methyl-1,3-dioxetan-2-yl)-2-oxoethyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 67989606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).