oxolan-3-yl (2S)-2-[[(2S)-1-[(2S)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-3-propan-2-ylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoate

C32H53N5O8 — CID 163565284

About oxolan-3-yl (2S)-2-[[(2S)-1-[(2S)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-3-propan-2-ylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoate

oxolan-3-yl (2S)-2-[[(2S)-1-[(2S)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-3-propan-2-ylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoate (PubChem CID 163565284) has the molecular formula C32H53N5O8 and a molecular weight of 635.80 g/mol. Its IUPAC name is oxolan-3-yl (2S)-2-[[(2S)-1-[(2S)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-3-propan-2-ylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoate.

Molecular Properties

• Compound Name: oxolan-3-yl (2S)-2-[[(2S)-1-[(2S)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-3-propan-2-ylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoate
• PubChem CID: 163565284
• Molecular Formula: C32H53N5O8
• Molecular Weight: 635.80 g/mol
• Exact Mass: 635.39
• IUPAC Name: oxolan-3-yl (2S)-2-[[(2S)-1-[(2S)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-3-propan-2-ylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoate
• SMILES: CC(C)C1CCN(C(=O)[C@@H](NC(=O)N[C@H](C(=O)OC2CCOC2)C(C)(C)C)C(C)(C)C)[C@@H]1C(=O)NC(CC1CC1)C(=O)C(N)=O
• InChI: InChI=1S/C32H53N5O8/c1-17(2)20-11-13-37(22(20)27(40)34-21(15-18-9-10-18)23(38)26(33)39)28(41)24(31(3,4)5)35-30(43)36-25(32(6,7)8)29(42)45-19-12-14-44-16-19/h17-22,24-25H,9-16H2,1-8H3,(H2,33,39)(H,34,40)(H2,35,36,43)/t19?,20?,21?,22-,24+,25+/m0/s1
• InChIKey: FUQVJASPGRYTFM-YJJZMUIQSA-N
• XLogP: 1.66
• TPSA: 186.23 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	635.80
LogP ≤ 5	1.66
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl (2S)-2-[[(2S)-1-[(2S)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-3-propan-2-ylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoate?

The IUPAC name of oxolan-3-yl (2S)-2-[[(2S)-1-[(2S)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-3-propan-2-ylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoate (CID 163565284) is oxolan-3-yl (2S)-2-[[(2S)-1-[(2S)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-3-propan-2-ylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoate.

What is the SMILES notation for oxolan-3-yl (2S)-2-[[(2S)-1-[(2S)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-3-propan-2-ylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoate?

The canonical SMILES for oxolan-3-yl (2S)-2-[[(2S)-1-[(2S)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-3-propan-2-ylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoate is CC(C)C1CCN(C(=O)[C@@H](NC(=O)N[C@H](C(=O)OC2CCOC2)C(C)(C)C)C(C)(C)C)[C@@H]1C(=O)NC(CC1CC1)C(=O)C(N)=O.

What is the InChIKey of oxolan-3-yl (2S)-2-[[(2S)-1-[(2S)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-3-propan-2-ylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoate?

The InChIKey is FUQVJASPGRYTFM-YJJZMUIQSA-N. The full InChI is InChI=1S/C32H53N5O8/c1-17(2)20-11-13-37(22(20)27(40)34-21(15-18-9-10-18)23(38)26(33)39)28(41)24(31(3,4)5)35-30(43)36-25(32(6,7)8)29(42)45-19-12-14-44-16-19/h17-22,24-25H,9-16H2,1-8H3,(H2,33,39)(H,34,40)(H2,35,36,43)/t19?,20?,21?,22-,24+,25+/m0/s1.

What are the key properties of oxolan-3-yl (2S)-2-[[(2S)-1-[(2S)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-3-propan-2-ylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoate?

oxolan-3-yl (2S)-2-[[(2S)-1-[(2S)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-3-propan-2-ylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoate has a molecular weight of 635.80 g/mol, XLogP of 1.66, 12 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for oxolan-3-yl (2S)-2-[[(2S)-1-[(2S)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-3-propan-2-ylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoate is sourced from PubChem (CID 163565284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).