2,3-dihydro-1H-inden-2-yl 2-[[(2R)-1-[(1R,2S,5S)-2-[(3-amino-1-cyclopropyl-2,3-dioxopropyl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoate

C36H51N5O7 — CID 71067201

About 2,3-dihydro-1H-inden-2-yl 2-[[(2R)-1-[(1R,2S,5S)-2-[(3-amino-1-cyclopropyl-2,3-dioxopropyl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoate

2,3-dihydro-1H-inden-2-yl 2-[[(2R)-1-[(1R,2S,5S)-2-[(3-amino-1-cyclopropyl-2,3-dioxopropyl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoate (PubChem CID 71067201) has the molecular formula C36H51N5O7 and a molecular weight of 665.83 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-2-yl 2-[[(2R)-1-[(1R,2S,5S)-2-[(3-amino-1-cyclopropyl-2,3-dioxopropyl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoate.

Molecular Properties

• Compound Name: 2,3-dihydro-1H-inden-2-yl 2-[[(2R)-1-[(1R,2S,5S)-2-[(3-amino-1-cyclopropyl-2,3-dioxopropyl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoate
• PubChem CID: 71067201
• Molecular Formula: C36H51N5O7
• Molecular Weight: 665.83 g/mol
• Exact Mass: 665.38
• IUPAC Name: 2,3-dihydro-1H-inden-2-yl 2-[[(2R)-1-[(1R,2S,5S)-2-[(3-amino-1-cyclopropyl-2,3-dioxopropyl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoate
• SMILES: CC(C)(C)C(NC(=O)N[C@@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(C(=O)C(N)=O)C1CC1)C2(C)C)C(C)(C)C)C(=O)OC1Cc2ccccc2C1
• InChI: InChI=1S/C36H51N5O7/c1-34(2,3)27(39-33(47)40-28(35(4,5)6)32(46)48-21-15-19-11-9-10-12-20(19)16-21)31(45)41-17-22-23(36(22,7)8)25(41)30(44)38-24(18-13-14-18)26(42)29(37)43/h9-12,18,21-25,27-28H,13-17H2,1-8H3,(H2,37,43)(H,38,44)(H2,39,40,47)/t22-,23-,24?,25-,27-,28?/m0/s1
• InChIKey: DZYGDFCYBUWGPS-ALIJGTOCSA-N
• XLogP: 2.26
• TPSA: 177.00 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	665.83
LogP ≤ 5	2.26
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-2-yl 2-[[(2R)-1-[(1R,2S,5S)-2-[(3-amino-1-cyclopropyl-2,3-dioxopropyl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoate?

The IUPAC name of 2,3-dihydro-1H-inden-2-yl 2-[[(2R)-1-[(1R,2S,5S)-2-[(3-amino-1-cyclopropyl-2,3-dioxopropyl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoate (CID 71067201) is 2,3-dihydro-1H-inden-2-yl 2-[[(2R)-1-[(1R,2S,5S)-2-[(3-amino-1-cyclopropyl-2,3-dioxopropyl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoate.

What is the SMILES notation for 2,3-dihydro-1H-inden-2-yl 2-[[(2R)-1-[(1R,2S,5S)-2-[(3-amino-1-cyclopropyl-2,3-dioxopropyl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoate?

The canonical SMILES for 2,3-dihydro-1H-inden-2-yl 2-[[(2R)-1-[(1R,2S,5S)-2-[(3-amino-1-cyclopropyl-2,3-dioxopropyl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoate is CC(C)(C)C(NC(=O)N[C@@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(C(=O)C(N)=O)C1CC1)C2(C)C)C(C)(C)C)C(=O)OC1Cc2ccccc2C1.

What is the InChIKey of 2,3-dihydro-1H-inden-2-yl 2-[[(2R)-1-[(1R,2S,5S)-2-[(3-amino-1-cyclopropyl-2,3-dioxopropyl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoate?

The InChIKey is DZYGDFCYBUWGPS-ALIJGTOCSA-N. The full InChI is InChI=1S/C36H51N5O7/c1-34(2,3)27(39-33(47)40-28(35(4,5)6)32(46)48-21-15-19-11-9-10-12-20(19)16-21)31(45)41-17-22-23(36(22,7)8)25(41)30(44)38-24(18-13-14-18)26(42)29(37)43/h9-12,18,21-25,27-28H,13-17H2,1-8H3,(H2,37,43)(H,38,44)(H2,39,40,47)/t22-,23-,24?,25-,27-,28?/m0/s1.

What are the key properties of 2,3-dihydro-1H-inden-2-yl 2-[[(2R)-1-[(1R,2S,5S)-2-[(3-amino-1-cyclopropyl-2,3-dioxopropyl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoate?

2,3-dihydro-1H-inden-2-yl 2-[[(2R)-1-[(1R,2S,5S)-2-[(3-amino-1-cyclopropyl-2,3-dioxopropyl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoate has a molecular weight of 665.83 g/mol, XLogP of 2.26, 10 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-[[(2R)-1-[(1R,2S,5S)-2-[(3-amino-1-cyclopropyl-2,3-dioxopropyl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoate is sourced from PubChem (CID 71067201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).