tert-butyl 3-amino-3-(pyridin-2-ylmethyl)pyrrolidine-1-carboxylate

C15H23N3O2 — CID 83694152

IUPACtert-butyl 3-amino-3-(pyridin-2-ylmethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N)(Cc2ccccn2)C1
InChIInChI=1S/C15H23N3O2/c1-14(2,3)20-13(19)18-9-7-15(16,11-18)10-12-6-4-5-8-17-12/h4-6,8H,7,9-11,16H2,1-3H3
InChIKeyGGQQHGQDQRRSDS-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.96
Rot. Bonds2

About tert-butyl 3-amino-3-(pyridin-2-ylmethyl)pyrrolidine-1-carboxylate

tert-butyl 3-amino-3-(pyridin-2-ylmethyl)pyrrolidine-1-carboxylate (PubChem CID 83694152) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is tert-butyl 3-amino-3-(pyridin-2-ylmethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-amino-3-(pyridin-2-ylmethyl)pyrrolidine-1-carboxylate
PubChem CID83694152
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Nametert-butyl 3-amino-3-(pyridin-2-ylmethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N)(Cc2ccccn2)C1
InChIInChI=1S/C15H23N3O2/c1-14(2,3)20-13(19)18-9-7-15(16,11-18)10-12-6-4-5-8-17-12/h4-6,8H,7,9-11,16H2,1-3H3
InChIKeyGGQQHGQDQRRSDS-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

1-O-tert-butyl 4-O-ethyl 4-(pyridin-2-ylmethyl)piperidine-1,4-dicarboxylate
CID 162726373
tert-butyl 3-amino-3-(pyridin-3-ylmethyl)pyrrolidine-1-carboxylate
CID 83694151
tert-butyl 3-amino-3-[(3-fluorophenyl)methyl]pyrrolidine-1-carboxylate
CID 162422818
tert-butyl 4-[N'-(pyridin-2-ylmethyl)carbamimidoyl]piperazine-1-carboxylate
CID 111023278
tert-butyl 4-acetyl-4-pyridin-2-ylpiperidine-1-carboxylate
CID 67465657
tert-butyl (3R)-3-amino-3-propylpyrrolidine-1-carboxylate
CID 129371675
1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(pyrimidin-2-ylmethyl)pyrrolidine-3-carboxylic acid
CID 103719560
tert-butyl 4-(2-pyridin-2-ylacetyl)piperidine-1-carboxylate
CID 46941819
tert-butyl 3-(methoxycarbonylamino)-3-pyridin-2-ylpyrrolidine-1-carboxylate
CID 22236948
1-(pyridin-2-ylmethyl)cyclopropan-1-amine
CID 59327087
tert-butyl (3S)-3-amino-3-[(4-chlorophenyl)methyl]piperidine-1-carboxylate
CID 146631053
tert-butyl 4-cyano-4-pyridin-2-ylpiperidine-1-carboxylate
CID 53439111

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-amino-3-(pyridin-2-ylmethyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-amino-3-(pyridin-2-ylmethyl)pyrrolidine-1-carboxylate (CID 83694152) is tert-butyl 3-amino-3-(pyridin-2-ylmethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-amino-3-(pyridin-2-ylmethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-amino-3-(pyridin-2-ylmethyl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(N)(Cc2ccccn2)C1.
What is the InChIKey of tert-butyl 3-amino-3-(pyridin-2-ylmethyl)pyrrolidine-1-carboxylate?
The InChIKey is GGQQHGQDQRRSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-14(2,3)20-13(19)18-9-7-15(16,11-18)10-12-6-4-5-8-17-12/h4-6,8H,7,9-11,16H2,1-3H3.
What are the key properties of tert-butyl 3-amino-3-(pyridin-2-ylmethyl)pyrrolidine-1-carboxylate?
tert-butyl 3-amino-3-(pyridin-2-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-2-ylmethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 83694152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).