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

C38H65N5O9 — CID 143101974

About tert-butyl 3-[[4-cyclopropyl-3-[[1-[2-[[2-(cyclopropylmethoxy)-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-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]pyrrolidine-2-carbonyl]amino]-2-oxobutanoyl]amino]propanoate;cyclopropane;propane (PubChem CID 143101974) has the molecular formula C38H65N5O9 and a molecular weight of 735.96 g/mol. Its IUPAC name is tert-butyl 3-[[4-cyclopropyl-3-[[1-[2-[[2-(cyclopropylmethoxy)-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-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]pyrrolidine-2-carbonyl]amino]-2-oxobutanoyl]amino]propanoate;cyclopropane;propane
• PubChem CID: 143101974
• Molecular Formula: C38H65N5O9
• Molecular Weight: 735.96 g/mol
• Exact Mass: 735.48
• IUPAC Name: tert-butyl 3-[[4-cyclopropyl-3-[[1-[2-[[2-(cyclopropylmethoxy)-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carbonyl]amino]-2-oxobutanoyl]amino]propanoate;cyclopropane;propane
• SMILES: C1CC1.CC(C)(C)OC(=O)CCNC(=O)C(=O)C(CC1CC1)NC(=O)C1CCCN1C(=O)C(NC(=O)NCC(=O)OCC1CC1)C(C)(C)C.CCC
• InChI: InChI=1S/C32H51N5O9.C3H6.C3H8/c1-31(2,3)26(36-30(44)34-17-24(39)45-18-20-11-12-20)29(43)37-15-7-8-22(37)27(41)35-21(16-19-9-10-19)25(40)28(42)33-14-13-23(38)46-32(4,5)6;1-2-3-1;1-3-2/h19-22,26H,7-18H2,1-6H3,(H,33,42)(H,35,41)(H2,34,36,44);1-3H2;3H2,1-2H3
• InChIKey: VAEMLYNGBCFIGP-UHFFFAOYSA-N
• XLogP: 3.93
• TPSA: 189.31 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 15
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	735.96
LogP ≤ 5	3.93
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]pyrrolidine-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]pyrrolidine-2-carbonyl]amino]-2-oxobutanoyl]amino]propanoate;cyclopropane;propane (CID 143101974) is tert-butyl 3-[[4-cyclopropyl-3-[[1-[2-[[2-(cyclopropylmethoxy)-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-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]pyrrolidine-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]pyrrolidine-2-carbonyl]amino]-2-oxobutanoyl]amino]propanoate;cyclopropane;propane is C1CC1.CC(C)(C)OC(=O)CCNC(=O)C(=O)C(CC1CC1)NC(=O)C1CCCN1C(=O)C(NC(=O)NCC(=O)OCC1CC1)C(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]pyrrolidine-2-carbonyl]amino]-2-oxobutanoyl]amino]propanoate;cyclopropane;propane?

The InChIKey is VAEMLYNGBCFIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H51N5O9.C3H6.C3H8/c1-31(2,3)26(36-30(44)34-17-24(39)45-18-20-11-12-20)29(43)37-15-7-8-22(37)27(41)35-21(16-19-9-10-19)25(40)28(42)33-14-13-23(38)46-32(4,5)6;1-2-3-1;1-3-2/h19-22,26H,7-18H2,1-6H3,(H,33,42)(H,35,41)(H2,34,36,44);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]pyrrolidine-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]pyrrolidine-2-carbonyl]amino]-2-oxobutanoyl]amino]propanoate;cyclopropane;propane has a molecular weight of 735.96 g/mol, XLogP of 3.93, 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]pyrrolidine-2-carbonyl]amino]-2-oxobutanoyl]amino]propanoate;cyclopropane;propane is sourced from PubChem (CID 143101974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).