tert-butyl 3-amino-3-(pyridin-3-ylmethyl)pyrrolidine-1-carboxylate

C15H23N3O2 — CID 83694151

IUPACtert-butyl 3-amino-3-(pyridin-3-ylmethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N)(Cc2cccnc2)C1
InChIInChI=1S/C15H23N3O2/c1-14(2,3)20-13(19)18-8-6-15(16,11-18)9-12-5-4-7-17-10-12/h4-5,7,10H,6,8-9,11,16H2,1-3H3
InChIKeyYCSITTBUQPZICA-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.96
Rot. Bonds2

About tert-butyl 3-amino-3-(pyridin-3-ylmethyl)pyrrolidine-1-carboxylate

tert-butyl 3-amino-3-(pyridin-3-ylmethyl)pyrrolidine-1-carboxylate (PubChem CID 83694151) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is tert-butyl 3-amino-3-(pyridin-3-ylmethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-amino-3-(pyridin-3-ylmethyl)pyrrolidine-1-carboxylate
PubChem CID83694151
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Nametert-butyl 3-amino-3-(pyridin-3-ylmethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N)(Cc2cccnc2)C1
InChIInChI=1S/C15H23N3O2/c1-14(2,3)20-13(19)18-8-6-15(16,11-18)9-12-5-4-7-17-10-12/h4-5,7,10H,6,8-9,11,16H2,1-3H3
InChIKeyYCSITTBUQPZICA-UHFFFAOYSA-N
XLogP1.96
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-amino-3-[(3-fluorophenyl)methyl]pyrrolidine-1-carboxylate
CID 162422818
tert-butyl 3-methyl-3-(pyridin-3-ylmethoxy)pyrrolidine-1-carboxylate
CID 83207669
tert-butyl 3-amino-3-(pyridin-2-ylmethyl)pyrrolidine-1-carboxylate
CID 83694152
4-amino-4-(pyridin-3-ylmethyl)piperidine-1-carboxylic acid
CID 166652941
tert-butyl 4-amino-4-[(3-chlorophenyl)methyl]piperidine-1-carboxylate
CID 86276713
tert-butyl 4-hydroxy-4-[(E)-2-pyridin-3-ylethenyl]piperidine-1-carboxylate
CID 58393206
tert-butyl (3S)-3-amino-3-[(4-chlorophenyl)methyl]piperidine-1-carboxylate
CID 146631053
(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(pyridin-3-ylmethyl)pyrrolidine-2-carboxylic acid
CID 7135694
tert-butyl 4-amino-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxylate
CID 86276711
tert-butyl (3R)-3-amino-3-propylpyrrolidine-1-carboxylate
CID 129371675
1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(pyridin-4-ylmethyl)pyrrolidine-3-carboxylic acid
CID 103719549
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-amino-3-(pyridin-3-ylmethyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-amino-3-(pyridin-3-ylmethyl)pyrrolidine-1-carboxylate (CID 83694151) is tert-butyl 3-amino-3-(pyridin-3-ylmethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-amino-3-(pyridin-3-ylmethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-amino-3-(pyridin-3-ylmethyl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(N)(Cc2cccnc2)C1.
What is the InChIKey of tert-butyl 3-amino-3-(pyridin-3-ylmethyl)pyrrolidine-1-carboxylate?
The InChIKey is YCSITTBUQPZICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-14(2,3)20-13(19)18-8-6-15(16,11-18)9-12-5-4-7-17-10-12/h4-5,7,10H,6,8-9,11,16H2,1-3H3.
What are the key properties of tert-butyl 3-amino-3-(pyridin-3-ylmethyl)pyrrolidine-1-carboxylate?
tert-butyl 3-amino-3-(pyridin-3-ylmethyl)pyrrolidine-1-carboxylate has a molecular weight of 277.37 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-amino-3-(pyridin-3-ylmethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 83694151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).