N'-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N-[(1S,2R)-2-hydroxycyclopentyl]-N'-methylpropanediamide

C27H35N5O5 — CID 168880592

About N'-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N-[(1S,2R)-2-hydroxycyclopentyl]-N'-methylpropanediamide

N'-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N-[(1S,2R)-2-hydroxycyclopentyl]-N'-methylpropanediamide (PubChem CID 168880592) has the molecular formula C27H35N5O5 and a molecular weight of 509.61 g/mol. Its IUPAC name is N'-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N-[(1S,2R)-2-hydroxycyclopentyl]-N'-methylpropanediamide.

Molecular Properties

• Compound Name: N'-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N-[(1S,2R)-2-hydroxycyclopentyl]-N'-methylpropanediamide
• PubChem CID: 168880592
• Molecular Formula: C27H35N5O5
• Molecular Weight: 509.61 g/mol
• Exact Mass: 509.26
• IUPAC Name: N'-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N-[(1S,2R)-2-hydroxycyclopentyl]-N'-methylpropanediamide
• SMILES: CC(C)C[C@@H](C(=O)N1C[C@]2(C[C@H]1C#N)C(=O)Nc1ccccc12)N(C)C(=O)CC(=O)N[C@H]1CCC[C@H]1O
• InChI: InChI=1S/C27H35N5O5/c1-16(2)11-21(31(3)24(35)12-23(34)29-20-9-6-10-22(20)33)25(36)32-15-27(13-17(32)14-28)18-7-4-5-8-19(18)30-26(27)37/h4-5,7-8,16-17,20-22,33H,6,9-13,15H2,1-3H3,(H,29,34)(H,30,37)/t17-,20-,21-,22+,27-/m0/s1
• InChIKey: AMTJPMVTVOTXPA-NYTKGUKTSA-N
• XLogP: 1.29
• TPSA: 142.84 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.61
LogP ≤ 5	1.29
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N-[(1S,2R)-2-hydroxycyclopentyl]-N'-methylpropanediamide?

The IUPAC name of N'-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N-[(1S,2R)-2-hydroxycyclopentyl]-N'-methylpropanediamide (CID 168880592) is N'-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N-[(1S,2R)-2-hydroxycyclopentyl]-N'-methylpropanediamide.

What is the SMILES notation for N'-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N-[(1S,2R)-2-hydroxycyclopentyl]-N'-methylpropanediamide?

The canonical SMILES for N'-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N-[(1S,2R)-2-hydroxycyclopentyl]-N'-methylpropanediamide is CC(C)C[C@@H](C(=O)N1C[C@]2(C[C@H]1C#N)C(=O)Nc1ccccc12)N(C)C(=O)CC(=O)N[C@H]1CCC[C@H]1O.

What is the InChIKey of N'-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N-[(1S,2R)-2-hydroxycyclopentyl]-N'-methylpropanediamide?

The InChIKey is AMTJPMVTVOTXPA-NYTKGUKTSA-N. The full InChI is InChI=1S/C27H35N5O5/c1-16(2)11-21(31(3)24(35)12-23(34)29-20-9-6-10-22(20)33)25(36)32-15-27(13-17(32)14-28)18-7-4-5-8-19(18)30-26(27)37/h4-5,7-8,16-17,20-22,33H,6,9-13,15H2,1-3H3,(H,29,34)(H,30,37)/t17-,20-,21-,22+,27-/m0/s1.

What are the key properties of N'-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N-[(1S,2R)-2-hydroxycyclopentyl]-N'-methylpropanediamide?

N'-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N-[(1S,2R)-2-hydroxycyclopentyl]-N'-methylpropanediamide has a molecular weight of 509.61 g/mol, XLogP of 1.29, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N-[(1S,2R)-2-hydroxycyclopentyl]-N'-methylpropanediamide is sourced from PubChem (CID 168880592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).