tert-butyl 2-[[1-[2-[[1-cyclopropyl-3,4-dioxo-4-(propan-2-ylamino)butan-2-yl]carbamoyl]-3,4-dimethylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]acetate

C30H51N5O7 — CID 143102217

About tert-butyl 2-[[1-[2-[[1-cyclopropyl-3,4-dioxo-4-(propan-2-ylamino)butan-2-yl]carbamoyl]-3,4-dimethylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]acetate

tert-butyl 2-[[1-[2-[[1-cyclopropyl-3,4-dioxo-4-(propan-2-ylamino)butan-2-yl]carbamoyl]-3,4-dimethylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]acetate (PubChem CID 143102217) has the molecular formula C30H51N5O7 and a molecular weight of 593.77 g/mol. Its IUPAC name is tert-butyl 2-[[1-[2-[[1-cyclopropyl-3,4-dioxo-4-(propan-2-ylamino)butan-2-yl]carbamoyl]-3,4-dimethylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]acetate.

Molecular Properties

• Compound Name: tert-butyl 2-[[1-[2-[[1-cyclopropyl-3,4-dioxo-4-(propan-2-ylamino)butan-2-yl]carbamoyl]-3,4-dimethylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]acetate
• PubChem CID: 143102217
• Molecular Formula: C30H51N5O7
• Molecular Weight: 593.77 g/mol
• Exact Mass: 593.38
• IUPAC Name: tert-butyl 2-[[1-[2-[[1-cyclopropyl-3,4-dioxo-4-(propan-2-ylamino)butan-2-yl]carbamoyl]-3,4-dimethylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]acetate
• SMILES: CC(C)NC(=O)C(=O)C(CC1CC1)NC(=O)C1C(C)C(C)CN1C(=O)C(NC(=O)NCC(=O)OC(C)(C)C)C(C)(C)C
• InChI: InChI=1S/C30H51N5O7/c1-16(2)32-26(39)23(37)20(13-19-11-12-19)33-25(38)22-18(4)17(3)15-35(22)27(40)24(29(5,6)7)34-28(41)31-14-21(36)42-30(8,9)10/h16-20,22,24H,11-15H2,1-10H3,(H,32,39)(H,33,38)(H2,31,34,41)
• InChIKey: WGSRRPFAWRVEFX-UHFFFAOYSA-N
• XLogP: 1.90
• TPSA: 163.01 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	593.77
LogP ≤ 5	1.90
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[1-[2-[[1-cyclopropyl-3,4-dioxo-4-(propan-2-ylamino)butan-2-yl]carbamoyl]-3,4-dimethylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]acetate?

The IUPAC name of tert-butyl 2-[[1-[2-[[1-cyclopropyl-3,4-dioxo-4-(propan-2-ylamino)butan-2-yl]carbamoyl]-3,4-dimethylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]acetate (CID 143102217) is tert-butyl 2-[[1-[2-[[1-cyclopropyl-3,4-dioxo-4-(propan-2-ylamino)butan-2-yl]carbamoyl]-3,4-dimethylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]acetate.

What is the SMILES notation for tert-butyl 2-[[1-[2-[[1-cyclopropyl-3,4-dioxo-4-(propan-2-ylamino)butan-2-yl]carbamoyl]-3,4-dimethylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]acetate?

The canonical SMILES for tert-butyl 2-[[1-[2-[[1-cyclopropyl-3,4-dioxo-4-(propan-2-ylamino)butan-2-yl]carbamoyl]-3,4-dimethylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]acetate is CC(C)NC(=O)C(=O)C(CC1CC1)NC(=O)C1C(C)C(C)CN1C(=O)C(NC(=O)NCC(=O)OC(C)(C)C)C(C)(C)C.

What is the InChIKey of tert-butyl 2-[[1-[2-[[1-cyclopropyl-3,4-dioxo-4-(propan-2-ylamino)butan-2-yl]carbamoyl]-3,4-dimethylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]acetate?

The InChIKey is WGSRRPFAWRVEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H51N5O7/c1-16(2)32-26(39)23(37)20(13-19-11-12-19)33-25(38)22-18(4)17(3)15-35(22)27(40)24(29(5,6)7)34-28(41)31-14-21(36)42-30(8,9)10/h16-20,22,24H,11-15H2,1-10H3,(H,32,39)(H,33,38)(H2,31,34,41).

What are the key properties of tert-butyl 2-[[1-[2-[[1-cyclopropyl-3,4-dioxo-4-(propan-2-ylamino)butan-2-yl]carbamoyl]-3,4-dimethylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]acetate?

tert-butyl 2-[[1-[2-[[1-cyclopropyl-3,4-dioxo-4-(propan-2-ylamino)butan-2-yl]carbamoyl]-3,4-dimethylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]acetate has a molecular weight of 593.77 g/mol, XLogP of 1.90, 11 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-[[1-[2-[[1-cyclopropyl-3,4-dioxo-4-(propan-2-ylamino)butan-2-yl]carbamoyl]-3,4-dimethylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]acetate is sourced from PubChem (CID 143102217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).