2-[[ethoxy-[[(2S)-2-hydroxy-2-(2-methylpropyl)-5-oxopyrrolidin-1-yl]methyl]phosphoryl]methyl]-4-methyl-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]pentanamide

C25H48N3O6P — CID 67864057

About 2-[[ethoxy-[[(2S)-2-hydroxy-2-(2-methylpropyl)-5-oxopyrrolidin-1-yl]methyl]phosphoryl]methyl]-4-methyl-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]pentanamide

2-[[ethoxy-[[(2S)-2-hydroxy-2-(2-methylpropyl)-5-oxopyrrolidin-1-yl]methyl]phosphoryl]methyl]-4-methyl-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]pentanamide (PubChem CID 67864057) has the molecular formula C25H48N3O6P and a molecular weight of 517.65 g/mol. Its IUPAC name is 2-[[ethoxy-[[(2S)-2-hydroxy-2-(2-methylpropyl)-5-oxopyrrolidin-1-yl]methyl]phosphoryl]methyl]-4-methyl-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]pentanamide.

Molecular Properties

• Compound Name: 2-[[ethoxy-[[(2S)-2-hydroxy-2-(2-methylpropyl)-5-oxopyrrolidin-1-yl]methyl]phosphoryl]methyl]-4-methyl-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]pentanamide
• PubChem CID: 67864057
• Molecular Formula: C25H48N3O6P
• Molecular Weight: 517.65 g/mol
• Exact Mass: 517.33
• IUPAC Name: 2-[[ethoxy-[[(2S)-2-hydroxy-2-(2-methylpropyl)-5-oxopyrrolidin-1-yl]methyl]phosphoryl]methyl]-4-methyl-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]pentanamide
• SMILES: CCOP(=O)(CC(CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC)CN1C(=O)CC[C@]1(O)CC(C)C
• InChI: InChI=1S/C25H48N3O6P/c1-9-34-35(33,16-28-22(29)10-11-25(28,32)14-19(6)7)15-20(12-17(2)3)23(30)27-21(13-18(4)5)24(31)26-8/h17-21,32H,9-16H2,1-8H3,(H,26,31)(H,27,30)/t20?,21-,25-,35?/m0/s1
• InChIKey: KYEODPHSOHIFCF-KWGWYDOCSA-N
• XLogP: 3.55
• TPSA: 125.04 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 15
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.65
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[ethoxy-[[(2S)-2-hydroxy-2-(2-methylpropyl)-5-oxopyrrolidin-1-yl]methyl]phosphoryl]methyl]-4-methyl-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]pentanamide?

The IUPAC name of 2-[[ethoxy-[[(2S)-2-hydroxy-2-(2-methylpropyl)-5-oxopyrrolidin-1-yl]methyl]phosphoryl]methyl]-4-methyl-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]pentanamide (CID 67864057) is 2-[[ethoxy-[[(2S)-2-hydroxy-2-(2-methylpropyl)-5-oxopyrrolidin-1-yl]methyl]phosphoryl]methyl]-4-methyl-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]pentanamide.

What is the SMILES notation for 2-[[ethoxy-[[(2S)-2-hydroxy-2-(2-methylpropyl)-5-oxopyrrolidin-1-yl]methyl]phosphoryl]methyl]-4-methyl-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]pentanamide?

The canonical SMILES for 2-[[ethoxy-[[(2S)-2-hydroxy-2-(2-methylpropyl)-5-oxopyrrolidin-1-yl]methyl]phosphoryl]methyl]-4-methyl-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]pentanamide is CCOP(=O)(CC(CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC)CN1C(=O)CC[C@]1(O)CC(C)C.

What is the InChIKey of 2-[[ethoxy-[[(2S)-2-hydroxy-2-(2-methylpropyl)-5-oxopyrrolidin-1-yl]methyl]phosphoryl]methyl]-4-methyl-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]pentanamide?

The InChIKey is KYEODPHSOHIFCF-KWGWYDOCSA-N. The full InChI is InChI=1S/C25H48N3O6P/c1-9-34-35(33,16-28-22(29)10-11-25(28,32)14-19(6)7)15-20(12-17(2)3)23(30)27-21(13-18(4)5)24(31)26-8/h17-21,32H,9-16H2,1-8H3,(H,26,31)(H,27,30)/t20?,21-,25-,35?/m0/s1.

What are the key properties of 2-[[ethoxy-[[(2S)-2-hydroxy-2-(2-methylpropyl)-5-oxopyrrolidin-1-yl]methyl]phosphoryl]methyl]-4-methyl-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]pentanamide?

2-[[ethoxy-[[(2S)-2-hydroxy-2-(2-methylpropyl)-5-oxopyrrolidin-1-yl]methyl]phosphoryl]methyl]-4-methyl-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]pentanamide has a molecular weight of 517.65 g/mol, XLogP of 3.55, 15 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[ethoxy-[[(2S)-2-hydroxy-2-(2-methylpropyl)-5-oxopyrrolidin-1-yl]methyl]phosphoryl]methyl]-4-methyl-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]pentanamide is sourced from PubChem (CID 67864057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).