Tert-butyl 3-amino-3-phenylpyrrolidine-1-carboxylate

C₁₅H₂₂N₂O₂ — CID 83693652

About Tert-butyl 3-amino-3-phenylpyrrolidine-1-carboxylate

Tert-butyl 3-amino-3-phenylpyrrolidine-1-carboxylate (PubChem CID 83693652) has the molecular formula C₁₅H₂₂N₂O₂ and a molecular weight of 262.35 g/mol. Its IUPAC name is tert-butyl 3-amino-3-phenylpyrrolidine-1-carboxylate.

Molecular Properties

• Compound Name: Tert-butyl 3-amino-3-phenylpyrrolidine-1-carboxylate
• PubChem CID: 83693652
• Molecular Formula: C₁₅H₂₂N₂O₂
• Molecular Weight: 262.35 g/mol
• Exact Mass: 262.17
• IUPAC Name: tert-butyl 3-amino-3-phenylpyrrolidine-1-carboxylate
• SMILES: CC(C)(C)OC(=O)N1CCC(N)(c2ccccc2)C1
• InChI: InChI=1S/C15H22N2O2/c1-14(2,3)19-13(18)17-10-9-15(16,11-17)12-7-5-4-6-8-12/h4-8H,9-11,16H2,1-3H3
• InChIKey: JWQMHIHZMPBTSY-UHFFFAOYSA-N
• XLogP: 2.48
• TPSA: 55.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	262.35
LogP ≤ 5	2.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of Tert-butyl 3-amino-3-phenylpyrrolidine-1-carboxylate?

The IUPAC name of Tert-butyl 3-amino-3-phenylpyrrolidine-1-carboxylate (CID 83693652) is tert-butyl 3-amino-3-phenylpyrrolidine-1-carboxylate.

What is the SMILES notation for Tert-butyl 3-amino-3-phenylpyrrolidine-1-carboxylate?

The canonical SMILES for Tert-butyl 3-amino-3-phenylpyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(N)(c2ccccc2)C1.

What is the InChIKey of Tert-butyl 3-amino-3-phenylpyrrolidine-1-carboxylate?

The InChIKey is JWQMHIHZMPBTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-14(2,3)19-13(18)17-10-9-15(16,11-17)12-7-5-4-6-8-12/h4-8H,9-11,16H2,1-3H3.

What are the key properties of Tert-butyl 3-amino-3-phenylpyrrolidine-1-carboxylate?

Tert-butyl 3-amino-3-phenylpyrrolidine-1-carboxylate has a molecular weight of 262.35 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Tert-butyl 3-amino-3-phenylpyrrolidine-1-carboxylate is sourced from PubChem (CID 83693652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 83693652 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.