tert-butyl 2-(6-methoxy-5-methyl-3-pyridinyl)pyrrolidine-1-carboxylate

C16H24N2O3 — CID 102542392

IUPACtert-butyl 2-(6-methoxy-5-methyl-3-pyridinyl)pyrrolidine-1-carboxylate
SMILESCOc1ncc(C2CCCN2C(=O)OC(C)(C)C)cc1C
InChIInChI=1S/C16H24N2O3/c1-11-9-12(10-17-14(11)20-5)13-7-6-8-18(13)15(19)21-16(2,3)4/h9-10,13H,6-8H2,1-5H3
InChIKeyXPWXTLWTYYNSTI-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.47
Rot. Bonds2

About tert-butyl 2-(6-methoxy-5-methyl-3-pyridinyl)pyrrolidine-1-carboxylate

tert-butyl 2-(6-methoxy-5-methyl-3-pyridinyl)pyrrolidine-1-carboxylate (PubChem CID 102542392) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is tert-butyl 2-(6-methoxy-5-methyl-3-pyridinyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(6-methoxy-5-methyl-3-pyridinyl)pyrrolidine-1-carboxylate
PubChem CID102542392
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Nametert-butyl 2-(6-methoxy-5-methyl-3-pyridinyl)pyrrolidine-1-carboxylate
SMILESCOc1ncc(C2CCCN2C(=O)OC(C)(C)C)cc1C
InChIInChI=1S/C16H24N2O3/c1-11-9-12(10-17-14(11)20-5)13-7-6-8-18(13)15(19)21-16(2,3)4/h9-10,13H,6-8H2,1-5H3
InChIKeyXPWXTLWTYYNSTI-UHFFFAOYSA-N
XLogP3.47
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-(5-amino-6-methoxy-3-pyridinyl)pyrrolidine-1-carboxylate
CID 115053100
tert-butyl 2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidine-1-carboxylate
CID 67470714
2-methoxy-3-methyl-5-(1-methylpyrrolidin-2-yl)pyridine
CID 102542386
tert-butyl 2-(4-bromo-3-methylphenyl)pyrrolidine-1-carboxylate
CID 53419960
tert-butyl 2-(3-methoxyphenyl)pyrrolidine-1-carboxylate
CID 15189984
tert-butyl (2S)-2-(2-fluoro-4-pyridinyl)pyrrolidine-1-carboxylate
CID 138979839
tert-butyl 2-(6-amino-4-methyl-3-pyridinyl)pyrrolidine-1-carboxylate
CID 102542790
tert-butyl 2-(1H-pyrazol-4-yl)pyrrolidine-1-carboxylate
CID 122170287
tert-butyl 2-[2-(5-chloro-6-methoxy-3-pyridinyl)pyrrolidin-1-yl]acetate
CID 171648311
tert-butyl 2-[6-(propylamino)-3-pyridinyl]pyrrolidine-1-carboxylate
CID 102540097
tert-butyl 2-(3,4-dichlorophenyl)pyrrolidine-1-carboxylate
CID 65142557
tert-butyl (2S)-2-phenylpyrrolidine-1-carboxylate
CID 10999368

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(6-methoxy-5-methyl-3-pyridinyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(6-methoxy-5-methyl-3-pyridinyl)pyrrolidine-1-carboxylate (CID 102542392) is tert-butyl 2-(6-methoxy-5-methyl-3-pyridinyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(6-methoxy-5-methyl-3-pyridinyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(6-methoxy-5-methyl-3-pyridinyl)pyrrolidine-1-carboxylate is COc1ncc(C2CCCN2C(=O)OC(C)(C)C)cc1C.
What is the InChIKey of tert-butyl 2-(6-methoxy-5-methyl-3-pyridinyl)pyrrolidine-1-carboxylate?
The InChIKey is XPWXTLWTYYNSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11-9-12(10-17-14(11)20-5)13-7-6-8-18(13)15(19)21-16(2,3)4/h9-10,13H,6-8H2,1-5H3.
What are the key properties of tert-butyl 2-(6-methoxy-5-methyl-3-pyridinyl)pyrrolidine-1-carboxylate?
tert-butyl 2-(6-methoxy-5-methyl-3-pyridinyl)pyrrolidine-1-carboxylate has a molecular weight of 292.38 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(6-methoxy-5-methyl-3-pyridinyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 102542392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).