tert-butyl 2-[[2-[(4R)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-4-(1-chloropropyl)pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamoylamino]acetate;2-methylpropane

C34H58ClN5O7 — CID 143354895

About tert-butyl 2-[[2-[(4R)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-4-(1-chloropropyl)pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamoylamino]acetate;2-methylpropane

tert-butyl 2-[[2-[(4R)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-4-(1-chloropropyl)pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamoylamino]acetate;2-methylpropane (PubChem CID 143354895) has the molecular formula C34H58ClN5O7 and a molecular weight of 684.32 g/mol. Its IUPAC name is tert-butyl 2-[[2-[(4R)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-4-(1-chloropropyl)pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamoylamino]acetate;2-methylpropane.

Molecular Properties

• Compound Name: tert-butyl 2-[[2-[(4R)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-4-(1-chloropropyl)pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamoylamino]acetate;2-methylpropane
• PubChem CID: 143354895
• Molecular Formula: C34H58ClN5O7
• Molecular Weight: 684.32 g/mol
• Exact Mass: 683.40
• IUPAC Name: tert-butyl 2-[[2-[(4R)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-4-(1-chloropropyl)pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamoylamino]acetate;2-methylpropane
• SMILES: CC(C)C.CCC(Cl)[C@@H]1CC(C(=O)NC(CC2CC2)C(=O)C(N)=O)N(C(=O)C(NC(=O)NCC(=O)OC(C)(C)C)C2CCCCC2)C1
• InChI: InChI=1S/C30H48ClN5O7.C4H10/c1-5-20(31)19-14-22(27(40)34-21(13-17-11-12-17)25(38)26(32)39)36(16-19)28(41)24(18-9-7-6-8-10-18)35-29(42)33-15-23(37)43-30(2,3)4;1-4(2)3/h17-22,24H,5-16H2,1-4H3,(H2,32,39)(H,34,40)(H2,33,35,42);4H,1-3H3/t19-,20?,21?,22?,24?;/m1./s1
• InChIKey: NQGWWKKDQFBEKM-WCMZLARKSA-N
• XLogP: 3.81
• TPSA: 177.00 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	684.32
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[2-[(4R)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-4-(1-chloropropyl)pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamoylamino]acetate;2-methylpropane?

The IUPAC name of tert-butyl 2-[[2-[(4R)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-4-(1-chloropropyl)pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamoylamino]acetate;2-methylpropane (CID 143354895) is tert-butyl 2-[[2-[(4R)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-4-(1-chloropropyl)pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamoylamino]acetate;2-methylpropane.

What is the SMILES notation for tert-butyl 2-[[2-[(4R)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-4-(1-chloropropyl)pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamoylamino]acetate;2-methylpropane?

The canonical SMILES for tert-butyl 2-[[2-[(4R)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-4-(1-chloropropyl)pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamoylamino]acetate;2-methylpropane is CC(C)C.CCC(Cl)[C@@H]1CC(C(=O)NC(CC2CC2)C(=O)C(N)=O)N(C(=O)C(NC(=O)NCC(=O)OC(C)(C)C)C2CCCCC2)C1.

What is the InChIKey of tert-butyl 2-[[2-[(4R)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-4-(1-chloropropyl)pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamoylamino]acetate;2-methylpropane?

The InChIKey is NQGWWKKDQFBEKM-WCMZLARKSA-N. The full InChI is InChI=1S/C30H48ClN5O7.C4H10/c1-5-20(31)19-14-22(27(40)34-21(13-17-11-12-17)25(38)26(32)39)36(16-19)28(41)24(18-9-7-6-8-10-18)35-29(42)33-15-23(37)43-30(2,3)4;1-4(2)3/h17-22,24H,5-16H2,1-4H3,(H2,32,39)(H,34,40)(H2,33,35,42);4H,1-3H3/t19-,20?,21?,22?,24?;/m1./s1.

What are the key properties of tert-butyl 2-[[2-[(4R)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-4-(1-chloropropyl)pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamoylamino]acetate;2-methylpropane?

tert-butyl 2-[[2-[(4R)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-4-(1-chloropropyl)pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamoylamino]acetate;2-methylpropane has a molecular weight of 684.32 g/mol, XLogP of 3.81, 13 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-[[2-[(4R)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-4-(1-chloropropyl)pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamoylamino]acetate;2-methylpropane is sourced from PubChem (CID 143354895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).