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

C15H23N3O3 — CID 115053100

IUPACtert-butyl 2-(5-amino-6-methoxy-3-pyridinyl)pyrrolidine-1-carboxylate
SMILESCOc1ncc(C2CCCN2C(=O)OC(C)(C)C)cc1N
InChIInChI=1S/C15H23N3O3/c1-15(2,3)21-14(19)18-7-5-6-12(18)10-8-11(16)13(20-4)17-9-10/h8-9,12H,5-7,16H2,1-4H3
InChIKeyMZMPIASGJYVYBB-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.74
Rot. Bonds2

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

tert-butyl 2-(5-amino-6-methoxy-3-pyridinyl)pyrrolidine-1-carboxylate (PubChem CID 115053100) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is tert-butyl 2-(5-amino-6-methoxy-3-pyridinyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(5-amino-6-methoxy-3-pyridinyl)pyrrolidine-1-carboxylate
PubChem CID115053100
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Nametert-butyl 2-(5-amino-6-methoxy-3-pyridinyl)pyrrolidine-1-carboxylate
SMILESCOc1ncc(C2CCCN2C(=O)OC(C)(C)C)cc1N
InChIInChI=1S/C15H23N3O3/c1-15(2,3)21-14(19)18-7-5-6-12(18)10-8-11(16)13(20-4)17-9-10/h8-9,12H,5-7,16H2,1-4H3
InChIKeyMZMPIASGJYVYBB-UHFFFAOYSA-N
XLogP2.74
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 2-(6-methoxy-5-methyl-3-pyridinyl)pyrrolidine-1-carboxylate
CID 102542392
tert-butyl 2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidine-1-carboxylate
CID 67470714
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 (2S)-2-[5-(bromomethyl)-1,3-oxazol-2-yl]pyrrolidine-1-carboxylate
CID 53468363
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 (2S)-2-[(5-amino-6-methoxy-2-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate
CID 66883332
2-O-(5-amino-2-bromo-6-methoxy-3-pyridinyl) 1-O-tert-butyl (2R)-pyrrolidine-1,2-dicarboxylate
CID 174334356
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(5-amino-6-methoxy-3-pyridinyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(5-amino-6-methoxy-3-pyridinyl)pyrrolidine-1-carboxylate (CID 115053100) is tert-butyl 2-(5-amino-6-methoxy-3-pyridinyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(5-amino-6-methoxy-3-pyridinyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(5-amino-6-methoxy-3-pyridinyl)pyrrolidine-1-carboxylate is COc1ncc(C2CCCN2C(=O)OC(C)(C)C)cc1N.
What is the InChIKey of tert-butyl 2-(5-amino-6-methoxy-3-pyridinyl)pyrrolidine-1-carboxylate?
The InChIKey is MZMPIASGJYVYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-15(2,3)21-14(19)18-7-5-6-12(18)10-8-11(16)13(20-4)17-9-10/h8-9,12H,5-7,16H2,1-4H3.
What are the key properties of tert-butyl 2-(5-amino-6-methoxy-3-pyridinyl)pyrrolidine-1-carboxylate?
tert-butyl 2-(5-amino-6-methoxy-3-pyridinyl)pyrrolidine-1-carboxylate has a molecular weight of 293.37 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(5-amino-6-methoxy-3-pyridinyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 115053100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).