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

C17H27N3O3 — CID 171807719

IUPACtert-butyl 3-[2-(6-amino-5-methoxy-2-pyridinyl)ethyl]pyrrolidine-1-carboxylate
SMILESCOc1ccc(CCC2CCN(C(=O)OC(C)(C)C)C2)nc1N
InChIInChI=1S/C17H27N3O3/c1-17(2,3)23-16(21)20-10-9-12(11-20)5-6-13-7-8-14(22-4)15(18)19-13/h7-8,12H,5-6,9-11H2,1-4H3,(H2,18,19)
InChIKeyOWZCDCVPHHRSBR-UHFFFAOYSA-N
MW321.42 g/mol
LogP2.86
Rot. Bonds4

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

tert-butyl 3-[2-(6-amino-5-methoxy-2-pyridinyl)ethyl]pyrrolidine-1-carboxylate (PubChem CID 171807719) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is tert-butyl 3-[2-(6-amino-5-methoxy-2-pyridinyl)ethyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[2-(6-amino-5-methoxy-2-pyridinyl)ethyl]pyrrolidine-1-carboxylate
PubChem CID171807719
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Nametert-butyl 3-[2-(6-amino-5-methoxy-2-pyridinyl)ethyl]pyrrolidine-1-carboxylate
SMILESCOc1ccc(CCC2CCN(C(=O)OC(C)(C)C)C2)nc1N
InChIInChI=1S/C17H27N3O3/c1-17(2,3)23-16(21)20-10-9-12(11-20)5-6-13-7-8-14(22-4)15(18)19-13/h7-8,12H,5-6,9-11H2,1-4H3,(H2,18,19)
InChIKeyOWZCDCVPHHRSBR-UHFFFAOYSA-N
XLogP2.86
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (3S)-3-[2-(4-aminophenyl)ethyl]pyrrolidine-1-carboxylate
CID 67239593
tert-butyl 3-[(3-amino-4-methoxyphenoxy)methyl]pyrrolidine-1-carboxylate
CID 166174101
tert-butyl 3-(2-hydroxyethyl)pyrrolidine-1-carboxylate
CID 22594650
tert-butyl 3-(2-chloroethyl)pyrrolidine-1-carboxylate
CID 71630011
tert-butyl 3-[(5-amino-2-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate
CID 118278679
tert-butyl (3S)-3-(methoxymethyl)pyrrolidine-1-carboxylate
CID 86332594
tert-butyl (3S)-3-[(6-methoxy-3-pyridinyl)methyl]pyrrolidine-1-carboxylate;sulfane
CID 161346804
tert-butyl 3-[3-(1,8-naphthyridin-2-yl)propoxymethyl]pyrrolidine-1-carboxylate
CID 146423056
tert-butyl 3-[3-(4-amino-3-chlorophenyl)propyl]pyrrolidine-1-carboxylate
CID 143704360
tert-butyl 4-(2-pyridin-4-ylethyl)piperidine-1-carboxylate
CID 174174191
tert-butyl (3R)-3-(2-oxopropyl)pyrrolidine-1-carboxylate
CID 130861472
tert-butyl 4-[2-(2-amino-4-pyridinyl)ethyl]piperidine-1-carboxylate
CID 66509368

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-(6-amino-5-methoxy-2-pyridinyl)ethyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[2-(6-amino-5-methoxy-2-pyridinyl)ethyl]pyrrolidine-1-carboxylate (CID 171807719) is tert-butyl 3-[2-(6-amino-5-methoxy-2-pyridinyl)ethyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[2-(6-amino-5-methoxy-2-pyridinyl)ethyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[2-(6-amino-5-methoxy-2-pyridinyl)ethyl]pyrrolidine-1-carboxylate is COc1ccc(CCC2CCN(C(=O)OC(C)(C)C)C2)nc1N.
What is the InChIKey of tert-butyl 3-[2-(6-amino-5-methoxy-2-pyridinyl)ethyl]pyrrolidine-1-carboxylate?
The InChIKey is OWZCDCVPHHRSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-17(2,3)23-16(21)20-10-9-12(11-20)5-6-13-7-8-14(22-4)15(18)19-13/h7-8,12H,5-6,9-11H2,1-4H3,(H2,18,19).
What are the key properties of tert-butyl 3-[2-(6-amino-5-methoxy-2-pyridinyl)ethyl]pyrrolidine-1-carboxylate?
tert-butyl 3-[2-(6-amino-5-methoxy-2-pyridinyl)ethyl]pyrrolidine-1-carboxylate has a molecular weight of 321.42 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-(6-amino-5-methoxy-2-pyridinyl)ethyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 171807719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).