3-phenyl-1-[(2S)-2-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]propan-1-one

C19H24N6O2 — CID 164617109

About 3-phenyl-1-[(2S)-2-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]propan-1-one

3-phenyl-1-[(2S)-2-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]propan-1-one (PubChem CID 164617109) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 3-phenyl-1-[(2S)-2-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 3-phenyl-1-[(2S)-2-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]propan-1-one
• PubChem CID: 164617109
• Molecular Formula: C19H24N6O2
• Molecular Weight: 368.44 g/mol
• Exact Mass: 368.20
• IUPAC Name: 3-phenyl-1-[(2S)-2-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]propan-1-one
• SMILES: O=C(CCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1c1nn[nH]n1
• InChI: InChI=1S/C19H24N6O2/c26-17(11-10-14-6-2-1-3-7-14)24-12-5-9-16(24)19(27)25-13-4-8-15(25)18-20-22-23-21-18/h1-3,6-7,15-16H,4-5,8-13H2,(H,20,21,22,23)/t15-,16-/m0/s1
• InChIKey: ITGKLVHWZRWWJW-HOTGVXAUSA-N
• XLogP: 1.49
• TPSA: 95.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.44
LogP ≤ 5	1.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-[(2S)-2-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]propan-1-one?

The IUPAC name of 3-phenyl-1-[(2S)-2-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]propan-1-one (CID 164617109) is 3-phenyl-1-[(2S)-2-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]propan-1-one.

What is the SMILES notation for 3-phenyl-1-[(2S)-2-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]propan-1-one?

The canonical SMILES for 3-phenyl-1-[(2S)-2-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]propan-1-one is O=C(CCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1c1nn[nH]n1.

What is the InChIKey of 3-phenyl-1-[(2S)-2-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]propan-1-one?

The InChIKey is ITGKLVHWZRWWJW-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H24N6O2/c26-17(11-10-14-6-2-1-3-7-14)24-12-5-9-16(24)19(27)25-13-4-8-15(25)18-20-22-23-21-18/h1-3,6-7,15-16H,4-5,8-13H2,(H,20,21,22,23)/t15-,16-/m0/s1.

What are the key properties of 3-phenyl-1-[(2S)-2-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]propan-1-one?

3-phenyl-1-[(2S)-2-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 368.44 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-phenyl-1-[(2S)-2-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 164617109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).