(2S)-1-[(2S)-2-[[(2S)-1-(4,4-dimethyl-2-oxopiperidin-1-yl)-3,3-dimethylbutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]-N-(3-methyl-1-oxamoylcyclobutyl)pyrrolidine-2-carboxamide

C32H54N6O6 — CID 143744049

About (2S)-1-[(2S)-2-[[(2S)-1-(4,4-dimethyl-2-oxopiperidin-1-yl)-3,3-dimethylbutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]-N-(3-methyl-1-oxamoylcyclobutyl)pyrrolidine-2-carboxamide

(2S)-1-[(2S)-2-[[(2S)-1-(4,4-dimethyl-2-oxopiperidin-1-yl)-3,3-dimethylbutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]-N-(3-methyl-1-oxamoylcyclobutyl)pyrrolidine-2-carboxamide (PubChem CID 143744049) has the molecular formula C32H54N6O6 and a molecular weight of 618.82 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-[[(2S)-1-(4,4-dimethyl-2-oxopiperidin-1-yl)-3,3-dimethylbutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]-N-(3-methyl-1-oxamoylcyclobutyl)pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: (2S)-1-[(2S)-2-[[(2S)-1-(4,4-dimethyl-2-oxopiperidin-1-yl)-3,3-dimethylbutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]-N-(3-methyl-1-oxamoylcyclobutyl)pyrrolidine-2-carboxamide
• PubChem CID: 143744049
• Molecular Formula: C32H54N6O6
• Molecular Weight: 618.82 g/mol
• Exact Mass: 618.41
• IUPAC Name: (2S)-1-[(2S)-2-[[(2S)-1-(4,4-dimethyl-2-oxopiperidin-1-yl)-3,3-dimethylbutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]-N-(3-methyl-1-oxamoylcyclobutyl)pyrrolidine-2-carboxamide
• SMILES: CC1CC(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)N[C@H](CN2CCC(C)(C)CC2=O)C(C)(C)C)C(C)(C)C)(C(=O)C(N)=O)C1
• InChI: InChI=1S/C32H54N6O6/c1-19-15-32(16-19,24(40)25(33)41)36-26(42)20-11-10-13-38(20)27(43)23(30(5,6)7)35-28(44)34-21(29(2,3)4)18-37-14-12-31(8,9)17-22(37)39/h19-21,23H,10-18H2,1-9H3,(H2,33,41)(H,36,42)(H2,34,35,44)/t19?,20-,21+,23+,32?/m0/s1
• InChIKey: AINKWPDHWISRHT-OCDGGUHTSA-N
• XLogP: 2.09
• TPSA: 171.01 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	618.82
LogP ≤ 5	2.09
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-2-[[(2S)-1-(4,4-dimethyl-2-oxopiperidin-1-yl)-3,3-dimethylbutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]-N-(3-methyl-1-oxamoylcyclobutyl)pyrrolidine-2-carboxamide?

The IUPAC name of (2S)-1-[(2S)-2-[[(2S)-1-(4,4-dimethyl-2-oxopiperidin-1-yl)-3,3-dimethylbutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]-N-(3-methyl-1-oxamoylcyclobutyl)pyrrolidine-2-carboxamide (CID 143744049) is (2S)-1-[(2S)-2-[[(2S)-1-(4,4-dimethyl-2-oxopiperidin-1-yl)-3,3-dimethylbutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]-N-(3-methyl-1-oxamoylcyclobutyl)pyrrolidine-2-carboxamide.

What is the SMILES notation for (2S)-1-[(2S)-2-[[(2S)-1-(4,4-dimethyl-2-oxopiperidin-1-yl)-3,3-dimethylbutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]-N-(3-methyl-1-oxamoylcyclobutyl)pyrrolidine-2-carboxamide?

The canonical SMILES for (2S)-1-[(2S)-2-[[(2S)-1-(4,4-dimethyl-2-oxopiperidin-1-yl)-3,3-dimethylbutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]-N-(3-methyl-1-oxamoylcyclobutyl)pyrrolidine-2-carboxamide is CC1CC(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)N[C@H](CN2CCC(C)(C)CC2=O)C(C)(C)C)C(C)(C)C)(C(=O)C(N)=O)C1.

What is the InChIKey of (2S)-1-[(2S)-2-[[(2S)-1-(4,4-dimethyl-2-oxopiperidin-1-yl)-3,3-dimethylbutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]-N-(3-methyl-1-oxamoylcyclobutyl)pyrrolidine-2-carboxamide?

The InChIKey is AINKWPDHWISRHT-OCDGGUHTSA-N. The full InChI is InChI=1S/C32H54N6O6/c1-19-15-32(16-19,24(40)25(33)41)36-26(42)20-11-10-13-38(20)27(43)23(30(5,6)7)35-28(44)34-21(29(2,3)4)18-37-14-12-31(8,9)17-22(37)39/h19-21,23H,10-18H2,1-9H3,(H2,33,41)(H,36,42)(H2,34,35,44)/t19?,20-,21+,23+,32?/m0/s1.

What are the key properties of (2S)-1-[(2S)-2-[[(2S)-1-(4,4-dimethyl-2-oxopiperidin-1-yl)-3,3-dimethylbutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]-N-(3-methyl-1-oxamoylcyclobutyl)pyrrolidine-2-carboxamide?

(2S)-1-[(2S)-2-[[(2S)-1-(4,4-dimethyl-2-oxopiperidin-1-yl)-3,3-dimethylbutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]-N-(3-methyl-1-oxamoylcyclobutyl)pyrrolidine-2-carboxamide has a molecular weight of 618.82 g/mol, XLogP of 2.09, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1-[(2S)-2-[[(2S)-1-(4,4-dimethyl-2-oxopiperidin-1-yl)-3,3-dimethylbutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]-N-(3-methyl-1-oxamoylcyclobutyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 143744049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).