tert-butyl (2S)-2-[(2R)-2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylamino]propyl]pyrrolidine-1-carboxylate

C19H34N4O3 — CID 99785176

About tert-butyl (2S)-2-[(2R)-2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylamino]propyl]pyrrolidine-1-carboxylate

tert-butyl (2S)-2-[(2R)-2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylamino]propyl]pyrrolidine-1-carboxylate (PubChem CID 99785176) has the molecular formula C19H34N4O3 and a molecular weight of 366.51 g/mol. Its IUPAC name is tert-butyl (2S)-2-[(2R)-2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylamino]propyl]pyrrolidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl (2S)-2-[(2R)-2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylamino]propyl]pyrrolidine-1-carboxylate
• PubChem CID: 99785176
• Molecular Formula: C19H34N4O3
• Molecular Weight: 366.51 g/mol
• Exact Mass: 366.26
• IUPAC Name: tert-butyl (2S)-2-[(2R)-2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylamino]propyl]pyrrolidine-1-carboxylate
• SMILES: C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)NCc1noc(C(C)(C)C)n1
• InChI: InChI=1S/C19H34N4O3/c1-13(20-12-15-21-16(26-22-15)18(2,3)4)11-14-9-8-10-23(14)17(24)25-19(5,6)7/h13-14,20H,8-12H2,1-7H3/t13-,14+/m1/s1
• InChIKey: MGTHBTKJCIBYJO-KGLIPLIRSA-N
• XLogP: 3.63
• TPSA: 80.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.51
LogP ≤ 5	3.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[(2R)-2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylamino]propyl]pyrrolidine-1-carboxylate?

The IUPAC name of tert-butyl (2S)-2-[(2R)-2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylamino]propyl]pyrrolidine-1-carboxylate (CID 99785176) is tert-butyl (2S)-2-[(2R)-2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylamino]propyl]pyrrolidine-1-carboxylate.

What is the SMILES notation for tert-butyl (2S)-2-[(2R)-2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylamino]propyl]pyrrolidine-1-carboxylate?

The canonical SMILES for tert-butyl (2S)-2-[(2R)-2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylamino]propyl]pyrrolidine-1-carboxylate is C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)NCc1noc(C(C)(C)C)n1.

What is the InChIKey of tert-butyl (2S)-2-[(2R)-2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylamino]propyl]pyrrolidine-1-carboxylate?

The InChIKey is MGTHBTKJCIBYJO-KGLIPLIRSA-N. The full InChI is InChI=1S/C19H34N4O3/c1-13(20-12-15-21-16(26-22-15)18(2,3)4)11-14-9-8-10-23(14)17(24)25-19(5,6)7/h13-14,20H,8-12H2,1-7H3/t13-,14+/m1/s1.

What are the key properties of tert-butyl (2S)-2-[(2R)-2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylamino]propyl]pyrrolidine-1-carboxylate?

tert-butyl (2S)-2-[(2R)-2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylamino]propyl]pyrrolidine-1-carboxylate has a molecular weight of 366.51 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (2S)-2-[(2R)-2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylamino]propyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 99785176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).