tert-butyl 3-methyl-3-(pyridin-3-ylmethoxy)pyrrolidine-1-carboxylate

C16H24N2O3 — CID 83207669

IUPACtert-butyl 3-methyl-3-(pyridin-3-ylmethoxy)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C)(OCc2cccnc2)C1
InChIInChI=1S/C16H24N2O3/c1-15(2,3)21-14(19)18-9-7-16(4,12-18)20-11-13-6-5-8-17-10-13/h5-6,8,10H,7,9,11-12H2,1-4H3
InChIKeyWKHXJHNXWQAQBF-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.00
Rot. Bonds3

About tert-butyl 3-methyl-3-(pyridin-3-ylmethoxy)pyrrolidine-1-carboxylate

tert-butyl 3-methyl-3-(pyridin-3-ylmethoxy)pyrrolidine-1-carboxylate (PubChem CID 83207669) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is tert-butyl 3-methyl-3-(pyridin-3-ylmethoxy)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-methyl-3-(pyridin-3-ylmethoxy)pyrrolidine-1-carboxylate
PubChem CID83207669
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Nametert-butyl 3-methyl-3-(pyridin-3-ylmethoxy)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C)(OCc2cccnc2)C1
InChIInChI=1S/C16H24N2O3/c1-15(2,3)21-14(19)18-9-7-16(4,12-18)20-11-13-6-5-8-17-10-13/h5-6,8,10H,7,9,11-12H2,1-4H3
InChIKeyWKHXJHNXWQAQBF-UHFFFAOYSA-N
XLogP3.00
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-methyl-3-[(1-methylpyrazol-4-yl)methoxy]pyrrolidine-1-carboxylate
CID 83206642
tert-butyl 3-amino-3-(pyridin-3-ylmethyl)pyrrolidine-1-carboxylate
CID 83694151
tert-butyl 3-methyl-3-(1,2-oxazol-5-ylmethoxy)pyrrolidine-1-carboxylate
CID 83207577
tert-butyl 3-methyl-3-(2-phenoxyethoxy)pyrrolidine-1-carboxylate
CID 103916198
tert-butyl 4-methyl-4-[(4-methylphenyl)methoxy]piperidine-1-carboxylate
CID 103915896
tert-butyl 3-[(1-ethylimidazol-2-yl)methoxy]-3-methylpyrrolidine-1-carboxylate
CID 106938825
tert-butyl 3-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]pyrrolidine-1-carboxylate
CID 83207230
tert-butyl 3-methyl-3-[(2-methyltetrazol-5-yl)methoxy]pyrrolidine-1-carboxylate
CID 107044470
tert-butyl 4-(pyridin-3-ylmethylamino)piperidine-1-carboxylate
CID 2761049
tert-butyl (3S)-3-[2-(pyridin-3-ylmethoxy)ethyl]piperidine-1-carboxylate
CID 97172197
tert-butyl 3-methyl-3-prop-2-ynoxypyrrolidine-1-carboxylate
CID 83206134
1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-3-ylpiperidine-4-carboxylic acid
CID 54382242

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-methyl-3-(pyridin-3-ylmethoxy)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-methyl-3-(pyridin-3-ylmethoxy)pyrrolidine-1-carboxylate (CID 83207669) is tert-butyl 3-methyl-3-(pyridin-3-ylmethoxy)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-methyl-3-(pyridin-3-ylmethoxy)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-methyl-3-(pyridin-3-ylmethoxy)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C)(OCc2cccnc2)C1.
What is the InChIKey of tert-butyl 3-methyl-3-(pyridin-3-ylmethoxy)pyrrolidine-1-carboxylate?
The InChIKey is WKHXJHNXWQAQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-15(2,3)21-14(19)18-9-7-16(4,12-18)20-11-13-6-5-8-17-10-13/h5-6,8,10H,7,9,11-12H2,1-4H3.
What are the key properties of tert-butyl 3-methyl-3-(pyridin-3-ylmethoxy)pyrrolidine-1-carboxylate?
tert-butyl 3-methyl-3-(pyridin-3-ylmethoxy)pyrrolidine-1-carboxylate has a molecular weight of 292.38 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-methyl-3-(pyridin-3-ylmethoxy)pyrrolidine-1-carboxylate is sourced from PubChem (CID 83207669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).