tert-butyl 3-[[4-cyclopropyl-3-[[1-[2-[[2-(cyclopropylmethoxy)-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoyl]-3-methylpyrrolidine-2-carbonyl]amino]-2-oxobutanoyl]amino]propanoate;cyclopropane;propane

C39H67N5O9 — CID 143357532

About tert-butyl 3-[[4-cyclopropyl-3-[[1-[2-[[2-(cyclopropylmethoxy)-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoyl]-3-methylpyrrolidine-2-carbonyl]amino]-2-oxobutanoyl]amino]propanoate;cyclopropane;propane

tert-butyl 3-[[4-cyclopropyl-3-[[1-[2-[[2-(cyclopropylmethoxy)-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoyl]-3-methylpyrrolidine-2-carbonyl]amino]-2-oxobutanoyl]amino]propanoate;cyclopropane;propane (PubChem CID 143357532) has the molecular formula C39H67N5O9 and a molecular weight of 749.99 g/mol. Its IUPAC name is tert-butyl 3-[[4-cyclopropyl-3-[[1-[2-[[2-(cyclopropylmethoxy)-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoyl]-3-methylpyrrolidine-2-carbonyl]amino]-2-oxobutanoyl]amino]propanoate;cyclopropane;propane.

Molecular Properties

• Compound Name: tert-butyl 3-[[4-cyclopropyl-3-[[1-[2-[[2-(cyclopropylmethoxy)-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoyl]-3-methylpyrrolidine-2-carbonyl]amino]-2-oxobutanoyl]amino]propanoate;cyclopropane;propane
• PubChem CID: 143357532
• Molecular Formula: C39H67N5O9
• Molecular Weight: 749.99 g/mol
• Exact Mass: 749.49
• IUPAC Name: tert-butyl 3-[[4-cyclopropyl-3-[[1-[2-[[2-(cyclopropylmethoxy)-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoyl]-3-methylpyrrolidine-2-carbonyl]amino]-2-oxobutanoyl]amino]propanoate;cyclopropane;propane
• SMILES: C1CC1.CC1CCN(C(=O)C(NC(=O)NCC(=O)OCC2CC2)C(C)(C)C)C1C(=O)NC(CC1CC1)C(=O)C(=O)NCCC(=O)OC(C)(C)C.CCC
• InChI: InChI=1S/C33H53N5O9.C3H6.C3H8/c1-19-13-15-38(30(44)27(32(2,3)4)37-31(45)35-17-24(40)46-18-21-10-11-21)25(19)28(42)36-22(16-20-8-9-20)26(41)29(43)34-14-12-23(39)47-33(5,6)7;1-2-3-1;1-3-2/h19-22,25,27H,8-18H2,1-7H3,(H,34,43)(H,36,42)(H2,35,37,45);1-3H2;3H2,1-2H3
• InChIKey: QNIOFJILOIWBRY-UHFFFAOYSA-N
• XLogP: 4.18
• TPSA: 189.31 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 15
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	749.99
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[4-cyclopropyl-3-[[1-[2-[[2-(cyclopropylmethoxy)-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoyl]-3-methylpyrrolidine-2-carbonyl]amino]-2-oxobutanoyl]amino]propanoate;cyclopropane;propane?

The IUPAC name of tert-butyl 3-[[4-cyclopropyl-3-[[1-[2-[[2-(cyclopropylmethoxy)-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoyl]-3-methylpyrrolidine-2-carbonyl]amino]-2-oxobutanoyl]amino]propanoate;cyclopropane;propane (CID 143357532) is tert-butyl 3-[[4-cyclopropyl-3-[[1-[2-[[2-(cyclopropylmethoxy)-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoyl]-3-methylpyrrolidine-2-carbonyl]amino]-2-oxobutanoyl]amino]propanoate;cyclopropane;propane.

What is the SMILES notation for tert-butyl 3-[[4-cyclopropyl-3-[[1-[2-[[2-(cyclopropylmethoxy)-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoyl]-3-methylpyrrolidine-2-carbonyl]amino]-2-oxobutanoyl]amino]propanoate;cyclopropane;propane?

The canonical SMILES for tert-butyl 3-[[4-cyclopropyl-3-[[1-[2-[[2-(cyclopropylmethoxy)-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoyl]-3-methylpyrrolidine-2-carbonyl]amino]-2-oxobutanoyl]amino]propanoate;cyclopropane;propane is C1CC1.CC1CCN(C(=O)C(NC(=O)NCC(=O)OCC2CC2)C(C)(C)C)C1C(=O)NC(CC1CC1)C(=O)C(=O)NCCC(=O)OC(C)(C)C.CCC.

What is the InChIKey of tert-butyl 3-[[4-cyclopropyl-3-[[1-[2-[[2-(cyclopropylmethoxy)-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoyl]-3-methylpyrrolidine-2-carbonyl]amino]-2-oxobutanoyl]amino]propanoate;cyclopropane;propane?

The InChIKey is QNIOFJILOIWBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H53N5O9.C3H6.C3H8/c1-19-13-15-38(30(44)27(32(2,3)4)37-31(45)35-17-24(40)46-18-21-10-11-21)25(19)28(42)36-22(16-20-8-9-20)26(41)29(43)34-14-12-23(39)47-33(5,6)7;1-2-3-1;1-3-2/h19-22,25,27H,8-18H2,1-7H3,(H,34,43)(H,36,42)(H2,35,37,45);1-3H2;3H2,1-2H3.

What are the key properties of tert-butyl 3-[[4-cyclopropyl-3-[[1-[2-[[2-(cyclopropylmethoxy)-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoyl]-3-methylpyrrolidine-2-carbonyl]amino]-2-oxobutanoyl]amino]propanoate;cyclopropane;propane?

tert-butyl 3-[[4-cyclopropyl-3-[[1-[2-[[2-(cyclopropylmethoxy)-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoyl]-3-methylpyrrolidine-2-carbonyl]amino]-2-oxobutanoyl]amino]propanoate;cyclopropane;propane has a molecular weight of 749.99 g/mol, XLogP of 4.18, 15 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-[[4-cyclopropyl-3-[[1-[2-[[2-(cyclopropylmethoxy)-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoyl]-3-methylpyrrolidine-2-carbonyl]amino]-2-oxobutanoyl]amino]propanoate;cyclopropane;propane is sourced from PubChem (CID 143357532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).