2,3-dihydro-1H-inden-2-yl 2-[[1-[(2R)-4-(dichloromethyl)-2-methylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]acetate;3-formamido-2-oxopentanamide;methylcyclopropane;propane

C37H59Cl2N5O7 — CID 143361385

About 2,3-dihydro-1H-inden-2-yl 2-[[1-[(2R)-4-(dichloromethyl)-2-methylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]acetate;3-formamido-2-oxopentanamide;methylcyclopropane;propane

2,3-dihydro-1H-inden-2-yl 2-[[1-[(2R)-4-(dichloromethyl)-2-methylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]acetate;3-formamido-2-oxopentanamide;methylcyclopropane;propane (PubChem CID 143361385) has the molecular formula C37H59Cl2N5O7 and a molecular weight of 756.81 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-2-yl 2-[[1-[(2R)-4-(dichloromethyl)-2-methylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]acetate;3-formamido-2-oxopentanamide;methylcyclopropane;propane.

Molecular Properties

• Compound Name: 2,3-dihydro-1H-inden-2-yl 2-[[1-[(2R)-4-(dichloromethyl)-2-methylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]acetate;3-formamido-2-oxopentanamide;methylcyclopropane;propane
• PubChem CID: 143361385
• Molecular Formula: C37H59Cl2N5O7
• Molecular Weight: 756.81 g/mol
• Exact Mass: 755.38
• IUPAC Name: 2,3-dihydro-1H-inden-2-yl 2-[[1-[(2R)-4-(dichloromethyl)-2-methylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]acetate;3-formamido-2-oxopentanamide;methylcyclopropane;propane
• SMILES: CC1CC1.CCC.CCC(NC=O)C(=O)C(N)=O.C[C@@H]1CC(C(Cl)Cl)CN1C(=O)C(NC(=O)NCC(=O)OC1Cc2ccccc2C1)C(C)(C)C
• InChI: InChI=1S/C24H33Cl2N3O4.C6H10N2O3.C4H8.C3H8/c1-14-9-17(21(25)26)13-29(14)22(31)20(24(2,3)4)28-23(32)27-12-19(30)33-18-10-15-7-5-6-8-16(15)11-18;1-2-4(8-3-9)5(10)6(7)11;1-4-2-3-4;1-3-2/h5-8,14,17-18,20-21H,9-13H2,1-4H3,(H2,27,28,32);3-4H,2H2,1H3,(H2,7,11)(H,8,9);4H,2-3H2,1H3;3H2,1-2H3/t14-,17?,20?;;;/m1.../s1
• InChIKey: CGTXONUPMOAGOM-GIWYGCHOSA-N
• XLogP: 4.85
• TPSA: 177.00 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	756.81
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-2-yl 2-[[1-[(2R)-4-(dichloromethyl)-2-methylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]acetate;3-formamido-2-oxopentanamide;methylcyclopropane;propane?

The IUPAC name of 2,3-dihydro-1H-inden-2-yl 2-[[1-[(2R)-4-(dichloromethyl)-2-methylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]acetate;3-formamido-2-oxopentanamide;methylcyclopropane;propane (CID 143361385) is 2,3-dihydro-1H-inden-2-yl 2-[[1-[(2R)-4-(dichloromethyl)-2-methylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]acetate;3-formamido-2-oxopentanamide;methylcyclopropane;propane.

What is the SMILES notation for 2,3-dihydro-1H-inden-2-yl 2-[[1-[(2R)-4-(dichloromethyl)-2-methylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]acetate;3-formamido-2-oxopentanamide;methylcyclopropane;propane?

The canonical SMILES for 2,3-dihydro-1H-inden-2-yl 2-[[1-[(2R)-4-(dichloromethyl)-2-methylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]acetate;3-formamido-2-oxopentanamide;methylcyclopropane;propane is CC1CC1.CCC.CCC(NC=O)C(=O)C(N)=O.C[C@@H]1CC(C(Cl)Cl)CN1C(=O)C(NC(=O)NCC(=O)OC1Cc2ccccc2C1)C(C)(C)C.

What is the InChIKey of 2,3-dihydro-1H-inden-2-yl 2-[[1-[(2R)-4-(dichloromethyl)-2-methylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]acetate;3-formamido-2-oxopentanamide;methylcyclopropane;propane?

The InChIKey is CGTXONUPMOAGOM-GIWYGCHOSA-N. The full InChI is InChI=1S/C24H33Cl2N3O4.C6H10N2O3.C4H8.C3H8/c1-14-9-17(21(25)26)13-29(14)22(31)20(24(2,3)4)28-23(32)27-12-19(30)33-18-10-15-7-5-6-8-16(15)11-18;1-2-4(8-3-9)5(10)6(7)11;1-4-2-3-4;1-3-2/h5-8,14,17-18,20-21H,9-13H2,1-4H3,(H2,27,28,32);3-4H,2H2,1H3,(H2,7,11)(H,8,9);4H,2-3H2,1H3;3H2,1-2H3/t14-,17?,20?;;;/m1.../s1.

What are the key properties of 2,3-dihydro-1H-inden-2-yl 2-[[1-[(2R)-4-(dichloromethyl)-2-methylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]acetate;3-formamido-2-oxopentanamide;methylcyclopropane;propane?

2,3-dihydro-1H-inden-2-yl 2-[[1-[(2R)-4-(dichloromethyl)-2-methylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]acetate;3-formamido-2-oxopentanamide;methylcyclopropane;propane has a molecular weight of 756.81 g/mol, XLogP of 4.85, 11 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-dihydro-1H-inden-2-yl 2-[[1-[(2R)-4-(dichloromethyl)-2-methylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]acetate;3-formamido-2-oxopentanamide;methylcyclopropane;propane is sourced from PubChem (CID 143361385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).