tert-butyl 3-[[5-(aminomethyl)-2-pyridinyl]oxy]pyrrolidine-1-carboxylate

C15H23N3O3 — CID 155973381

IUPACtert-butyl 3-[[5-(aminomethyl)-2-pyridinyl]oxy]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Oc2ccc(CN)cn2)C1
InChIInChI=1S/C15H23N3O3/c1-15(2,3)21-14(19)18-7-6-12(10-18)20-13-5-4-11(8-16)9-17-13/h4-5,9,12H,6-8,10,16H2,1-3H3
InChIKeyXSPJUEUUSFANNG-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.93
Rot. Bonds3

About tert-butyl 3-[[5-(aminomethyl)-2-pyridinyl]oxy]pyrrolidine-1-carboxylate

tert-butyl 3-[[5-(aminomethyl)-2-pyridinyl]oxy]pyrrolidine-1-carboxylate (PubChem CID 155973381) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is tert-butyl 3-[[5-(aminomethyl)-2-pyridinyl]oxy]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[5-(aminomethyl)-2-pyridinyl]oxy]pyrrolidine-1-carboxylate
PubChem CID155973381
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Nametert-butyl 3-[[5-(aminomethyl)-2-pyridinyl]oxy]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Oc2ccc(CN)cn2)C1
InChIInChI=1S/C15H23N3O3/c1-15(2,3)21-14(19)18-7-6-12(10-18)20-13-5-4-11(8-16)9-17-13/h4-5,9,12H,6-8,10,16H2,1-3H3
InChIKeyXSPJUEUUSFANNG-UHFFFAOYSA-N
XLogP1.93
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[5-(aminomethyl)-2-pyridinyl]oxy]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[[5-(aminomethyl)-2-pyridinyl]oxy]pyrrolidine-1-carboxylate (CID 155973381) is tert-butyl 3-[[5-(aminomethyl)-2-pyridinyl]oxy]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[[5-(aminomethyl)-2-pyridinyl]oxy]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[[5-(aminomethyl)-2-pyridinyl]oxy]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(Oc2ccc(CN)cn2)C1.
What is the InChIKey of tert-butyl 3-[[5-(aminomethyl)-2-pyridinyl]oxy]pyrrolidine-1-carboxylate?
The InChIKey is XSPJUEUUSFANNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-15(2,3)21-14(19)18-7-6-12(10-18)20-13-5-4-11(8-16)9-17-13/h4-5,9,12H,6-8,10,16H2,1-3H3.
What are the key properties of tert-butyl 3-[[5-(aminomethyl)-2-pyridinyl]oxy]pyrrolidine-1-carboxylate?
tert-butyl 3-[[5-(aminomethyl)-2-pyridinyl]oxy]pyrrolidine-1-carboxylate has a molecular weight of 293.37 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[5-(aminomethyl)-2-pyridinyl]oxy]pyrrolidine-1-carboxylate is sourced from PubChem (CID 155973381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).