methane;methylcyclopropane;propane;propan-2-yl 2-[[3,3-dimethyl-1-[2-[[3-[[3-(2-methylbutan-2-yloxy)-3-oxopropyl]amino]-2,3-dioxopropyl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamoylamino]propanoate

C37H69N5O9 — CID 143315414

About methane;methylcyclopropane;propane;propan-2-yl 2-[[3,3-dimethyl-1-[2-[[3-[[3-(2-methylbutan-2-yloxy)-3-oxopropyl]amino]-2,3-dioxopropyl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamoylamino]propanoate

methane;methylcyclopropane;propane;propan-2-yl 2-[[3,3-dimethyl-1-[2-[[3-[[3-(2-methylbutan-2-yloxy)-3-oxopropyl]amino]-2,3-dioxopropyl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamoylamino]propanoate (PubChem CID 143315414) has the molecular formula C37H69N5O9 and a molecular weight of 727.99 g/mol. Its IUPAC name is methane;methylcyclopropane;propane;propan-2-yl 2-[[3,3-dimethyl-1-[2-[[3-[[3-(2-methylbutan-2-yloxy)-3-oxopropyl]amino]-2,3-dioxopropyl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamoylamino]propanoate.

Molecular Properties

• Compound Name: methane;methylcyclopropane;propane;propan-2-yl 2-[[3,3-dimethyl-1-[2-[[3-[[3-(2-methylbutan-2-yloxy)-3-oxopropyl]amino]-2,3-dioxopropyl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamoylamino]propanoate
• PubChem CID: 143315414
• Molecular Formula: C37H69N5O9
• Molecular Weight: 727.99 g/mol
• Exact Mass: 727.51
• IUPAC Name: methane;methylcyclopropane;propane;propan-2-yl 2-[[3,3-dimethyl-1-[2-[[3-[[3-(2-methylbutan-2-yloxy)-3-oxopropyl]amino]-2,3-dioxopropyl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamoylamino]propanoate
• SMILES: C.CC1CC1.CCC.CCC(C)(C)OC(=O)CCNC(=O)C(=O)CNC(=O)C1CCCN1C(=O)C(NC(=O)NC(C)C(=O)OC(C)C)C(C)(C)C
• InChI: InChI=1S/C29H49N5O9.C4H8.C3H8.CH4/c1-10-29(8,9)43-21(36)13-14-30-24(38)20(35)16-31-23(37)19-12-11-15-34(19)25(39)22(28(5,6)7)33-27(41)32-18(4)26(40)42-17(2)3;1-4-2-3-4;1-3-2;/h17-19,22H,10-16H2,1-9H3,(H,30,38)(H,31,37)(H2,32,33,41);4H,2-3H2,1H3;3H2,1-2H3;1H4
• InChIKey: BUPQAKSMGNTOHD-UHFFFAOYSA-N
• XLogP: 4.42
• TPSA: 189.31 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 14
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	727.99
LogP ≤ 5	4.42
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 methane;methylcyclopropane;propane;propan-2-yl 2-[[3,3-dimethyl-1-[2-[[3-[[3-(2-methylbutan-2-yloxy)-3-oxopropyl]amino]-2,3-dioxopropyl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamoylamino]propanoate?

The IUPAC name of methane;methylcyclopropane;propane;propan-2-yl 2-[[3,3-dimethyl-1-[2-[[3-[[3-(2-methylbutan-2-yloxy)-3-oxopropyl]amino]-2,3-dioxopropyl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamoylamino]propanoate (CID 143315414) is methane;methylcyclopropane;propane;propan-2-yl 2-[[3,3-dimethyl-1-[2-[[3-[[3-(2-methylbutan-2-yloxy)-3-oxopropyl]amino]-2,3-dioxopropyl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamoylamino]propanoate.

What is the SMILES notation for methane;methylcyclopropane;propane;propan-2-yl 2-[[3,3-dimethyl-1-[2-[[3-[[3-(2-methylbutan-2-yloxy)-3-oxopropyl]amino]-2,3-dioxopropyl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamoylamino]propanoate?

The canonical SMILES for methane;methylcyclopropane;propane;propan-2-yl 2-[[3,3-dimethyl-1-[2-[[3-[[3-(2-methylbutan-2-yloxy)-3-oxopropyl]amino]-2,3-dioxopropyl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamoylamino]propanoate is C.CC1CC1.CCC.CCC(C)(C)OC(=O)CCNC(=O)C(=O)CNC(=O)C1CCCN1C(=O)C(NC(=O)NC(C)C(=O)OC(C)C)C(C)(C)C.

What is the InChIKey of methane;methylcyclopropane;propane;propan-2-yl 2-[[3,3-dimethyl-1-[2-[[3-[[3-(2-methylbutan-2-yloxy)-3-oxopropyl]amino]-2,3-dioxopropyl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamoylamino]propanoate?

The InChIKey is BUPQAKSMGNTOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H49N5O9.C4H8.C3H8.CH4/c1-10-29(8,9)43-21(36)13-14-30-24(38)20(35)16-31-23(37)19-12-11-15-34(19)25(39)22(28(5,6)7)33-27(41)32-18(4)26(40)42-17(2)3;1-4-2-3-4;1-3-2;/h17-19,22H,10-16H2,1-9H3,(H,30,38)(H,31,37)(H2,32,33,41);4H,2-3H2,1H3;3H2,1-2H3;1H4.

What are the key properties of methane;methylcyclopropane;propane;propan-2-yl 2-[[3,3-dimethyl-1-[2-[[3-[[3-(2-methylbutan-2-yloxy)-3-oxopropyl]amino]-2,3-dioxopropyl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamoylamino]propanoate?

methane;methylcyclopropane;propane;propan-2-yl 2-[[3,3-dimethyl-1-[2-[[3-[[3-(2-methylbutan-2-yloxy)-3-oxopropyl]amino]-2,3-dioxopropyl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamoylamino]propanoate has a molecular weight of 727.99 g/mol, XLogP of 4.42, 14 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for methane;methylcyclopropane;propane;propan-2-yl 2-[[3,3-dimethyl-1-[2-[[3-[[3-(2-methylbutan-2-yloxy)-3-oxopropyl]amino]-2,3-dioxopropyl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamoylamino]propanoate is sourced from PubChem (CID 143315414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).