N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[(2S)-2-amino-3-methylbutanoyl]-4-(2-cyclobutylpropan-2-yl)pyrrolidine-2-carboxamide

C25H42N4O4 — CID 143581195

About N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[(2S)-2-amino-3-methylbutanoyl]-4-(2-cyclobutylpropan-2-yl)pyrrolidine-2-carboxamide

N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[(2S)-2-amino-3-methylbutanoyl]-4-(2-cyclobutylpropan-2-yl)pyrrolidine-2-carboxamide (PubChem CID 143581195) has the molecular formula C25H42N4O4 and a molecular weight of 462.64 g/mol. Its IUPAC name is N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[(2S)-2-amino-3-methylbutanoyl]-4-(2-cyclobutylpropan-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[(2S)-2-amino-3-methylbutanoyl]-4-(2-cyclobutylpropan-2-yl)pyrrolidine-2-carboxamide
• PubChem CID: 143581195
• Molecular Formula: C25H42N4O4
• Molecular Weight: 462.64 g/mol
• Exact Mass: 462.32
• IUPAC Name: N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[(2S)-2-amino-3-methylbutanoyl]-4-(2-cyclobutylpropan-2-yl)pyrrolidine-2-carboxamide
• SMILES: CC(C)[C@H](N)C(=O)N1CC(C(C)(C)C2CCC2)CC1C(=O)NC(CC1CCC1)C(=O)C(N)=O
• InChI: InChI=1S/C25H42N4O4/c1-14(2)20(26)24(33)29-13-17(25(3,4)16-9-6-10-16)12-19(29)23(32)28-18(21(30)22(27)31)11-15-7-5-8-15/h14-20H,5-13,26H2,1-4H3,(H2,27,31)(H,28,32)/t17?,18?,19?,20-/m0/s1
• InChIKey: CWFRPKIPVWFEOH-WSXZXBBNSA-N
• XLogP: 1.74
• TPSA: 135.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.64
LogP ≤ 5	1.74
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[(2S)-2-amino-3-methylbutanoyl]-4-(2-cyclobutylpropan-2-yl)pyrrolidine-2-carboxamide?

The IUPAC name of N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[(2S)-2-amino-3-methylbutanoyl]-4-(2-cyclobutylpropan-2-yl)pyrrolidine-2-carboxamide (CID 143581195) is N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[(2S)-2-amino-3-methylbutanoyl]-4-(2-cyclobutylpropan-2-yl)pyrrolidine-2-carboxamide.

What is the SMILES notation for N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[(2S)-2-amino-3-methylbutanoyl]-4-(2-cyclobutylpropan-2-yl)pyrrolidine-2-carboxamide?

The canonical SMILES for N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[(2S)-2-amino-3-methylbutanoyl]-4-(2-cyclobutylpropan-2-yl)pyrrolidine-2-carboxamide is CC(C)[C@H](N)C(=O)N1CC(C(C)(C)C2CCC2)CC1C(=O)NC(CC1CCC1)C(=O)C(N)=O.

What is the InChIKey of N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[(2S)-2-amino-3-methylbutanoyl]-4-(2-cyclobutylpropan-2-yl)pyrrolidine-2-carboxamide?

The InChIKey is CWFRPKIPVWFEOH-WSXZXBBNSA-N. The full InChI is InChI=1S/C25H42N4O4/c1-14(2)20(26)24(33)29-13-17(25(3,4)16-9-6-10-16)12-19(29)23(32)28-18(21(30)22(27)31)11-15-7-5-8-15/h14-20H,5-13,26H2,1-4H3,(H2,27,31)(H,28,32)/t17?,18?,19?,20-/m0/s1.

What are the key properties of N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[(2S)-2-amino-3-methylbutanoyl]-4-(2-cyclobutylpropan-2-yl)pyrrolidine-2-carboxamide?

N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[(2S)-2-amino-3-methylbutanoyl]-4-(2-cyclobutylpropan-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 462.64 g/mol, XLogP of 1.74, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[(2S)-2-amino-3-methylbutanoyl]-4-(2-cyclobutylpropan-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 143581195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).