tert-butyl N-[2-[2-[[1-cyclopropyl-3-hydroxy-4-oxo-4-(prop-2-enylamino)butan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]carbamate;ethane;2-methylpropane;propane

C31H60N4O6 — CID 143100521

About tert-butyl N-[2-[2-[[1-cyclopropyl-3-hydroxy-4-oxo-4-(prop-2-enylamino)butan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]carbamate;ethane;2-methylpropane;propane

tert-butyl N-[2-[2-[[1-cyclopropyl-3-hydroxy-4-oxo-4-(prop-2-enylamino)butan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]carbamate;ethane;2-methylpropane;propane (PubChem CID 143100521) has the molecular formula C31H60N4O6 and a molecular weight of 584.84 g/mol. Its IUPAC name is tert-butyl N-[2-[2-[[1-cyclopropyl-3-hydroxy-4-oxo-4-(prop-2-enylamino)butan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]carbamate;ethane;2-methylpropane;propane.

Molecular Properties

• Compound Name: tert-butyl N-[2-[2-[[1-cyclopropyl-3-hydroxy-4-oxo-4-(prop-2-enylamino)butan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]carbamate;ethane;2-methylpropane;propane
• PubChem CID: 143100521
• Molecular Formula: C31H60N4O6
• Molecular Weight: 584.84 g/mol
• Exact Mass: 584.45
• IUPAC Name: tert-butyl N-[2-[2-[[1-cyclopropyl-3-hydroxy-4-oxo-4-(prop-2-enylamino)butan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]carbamate;ethane;2-methylpropane;propane
• SMILES: C=CCNC(=O)C(O)C(CC1CC1)NC(=O)C1CCCN1C(=O)CNC(=O)OC(C)(C)C.CC.CC(C)C.CCC
• InChI: InChI=1S/C22H36N4O6.C4H10.C3H8.C2H6/c1-5-10-23-20(30)18(28)15(12-14-8-9-14)25-19(29)16-7-6-11-26(16)17(27)13-24-21(31)32-22(2,3)4;1-4(2)3;1-3-2;1-2/h5,14-16,18,28H,1,6-13H2,2-4H3,(H,23,30)(H,24,31)(H,25,29);4H,1-3H3;3H2,1-2H3;1-2H3
• InChIKey: PEPXMQKGDKHFLD-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 137.07 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	584.84
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-[[1-cyclopropyl-3-hydroxy-4-oxo-4-(prop-2-enylamino)butan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]carbamate;ethane;2-methylpropane;propane?

The IUPAC name of tert-butyl N-[2-[2-[[1-cyclopropyl-3-hydroxy-4-oxo-4-(prop-2-enylamino)butan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]carbamate;ethane;2-methylpropane;propane (CID 143100521) is tert-butyl N-[2-[2-[[1-cyclopropyl-3-hydroxy-4-oxo-4-(prop-2-enylamino)butan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]carbamate;ethane;2-methylpropane;propane.

What is the SMILES notation for tert-butyl N-[2-[2-[[1-cyclopropyl-3-hydroxy-4-oxo-4-(prop-2-enylamino)butan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]carbamate;ethane;2-methylpropane;propane?

The canonical SMILES for tert-butyl N-[2-[2-[[1-cyclopropyl-3-hydroxy-4-oxo-4-(prop-2-enylamino)butan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]carbamate;ethane;2-methylpropane;propane is C=CCNC(=O)C(O)C(CC1CC1)NC(=O)C1CCCN1C(=O)CNC(=O)OC(C)(C)C.CC.CC(C)C.CCC.

What is the InChIKey of tert-butyl N-[2-[2-[[1-cyclopropyl-3-hydroxy-4-oxo-4-(prop-2-enylamino)butan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]carbamate;ethane;2-methylpropane;propane?

The InChIKey is PEPXMQKGDKHFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N4O6.C4H10.C3H8.C2H6/c1-5-10-23-20(30)18(28)15(12-14-8-9-14)25-19(29)16-7-6-11-26(16)17(27)13-24-21(31)32-22(2,3)4;1-4(2)3;1-3-2;1-2/h5,14-16,18,28H,1,6-13H2,2-4H3,(H,23,30)(H,24,31)(H,25,29);4H,1-3H3;3H2,1-2H3;1-2H3.

What are the key properties of tert-butyl N-[2-[2-[[1-cyclopropyl-3-hydroxy-4-oxo-4-(prop-2-enylamino)butan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]carbamate;ethane;2-methylpropane;propane?

tert-butyl N-[2-[2-[[1-cyclopropyl-3-hydroxy-4-oxo-4-(prop-2-enylamino)butan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]carbamate;ethane;2-methylpropane;propane has a molecular weight of 584.84 g/mol, XLogP of 4.55, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[2-[2-[[1-cyclopropyl-3-hydroxy-4-oxo-4-(prop-2-enylamino)butan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]carbamate;ethane;2-methylpropane;propane is sourced from PubChem (CID 143100521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).