[1-[(1R,2S,5S)-2-[[1-amino-3-(5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-6-yl)-1-oxopropan-2-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid

C24H36N6O5 — CID 170167359

About [1-[(1R,2S,5S)-2-[[1-amino-3-(5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-6-yl)-1-oxopropan-2-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid

[1-[(1R,2S,5S)-2-[[1-amino-3-(5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-6-yl)-1-oxopropan-2-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid (PubChem CID 170167359) has the molecular formula C24H36N6O5 and a molecular weight of 488.59 g/mol. Its IUPAC name is [1-[(1R,2S,5S)-2-[[1-amino-3-(5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-6-yl)-1-oxopropan-2-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid.

Molecular Properties

• Compound Name: [1-[(1R,2S,5S)-2-[[1-amino-3-(5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-6-yl)-1-oxopropan-2-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid
• PubChem CID: 170167359
• Molecular Formula: C24H36N6O5
• Molecular Weight: 488.59 g/mol
• Exact Mass: 488.27
• IUPAC Name: [1-[(1R,2S,5S)-2-[[1-amino-3-(5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-6-yl)-1-oxopropan-2-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid
• SMILES: CC(C)(C)C(NC(=O)O)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CCc3ccnn31)C(N)=O)C2(C)C
• InChI: InChI=1S/C24H36N6O5/c1-23(2,3)18(28-22(34)35)21(33)29-11-14-16(24(14,4)5)17(29)20(32)27-15(19(25)31)10-13-7-6-12-8-9-26-30(12)13/h8-9,13-18,28H,6-7,10-11H2,1-5H3,(H2,25,31)(H,27,32)(H,34,35)/t13?,14-,15?,16-,17-,18?/m0/s1
• InChIKey: SLKAIKKMSJNBMH-IKBCJISJSA-N
• XLogP: 0.90
• TPSA: 159.65 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.59
LogP ≤ 5	0.90
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [1-[(1R,2S,5S)-2-[[1-amino-3-(5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-6-yl)-1-oxopropan-2-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid?

The IUPAC name of [1-[(1R,2S,5S)-2-[[1-amino-3-(5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-6-yl)-1-oxopropan-2-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid (CID 170167359) is [1-[(1R,2S,5S)-2-[[1-amino-3-(5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-6-yl)-1-oxopropan-2-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid.

What is the SMILES notation for [1-[(1R,2S,5S)-2-[[1-amino-3-(5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-6-yl)-1-oxopropan-2-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid?

The canonical SMILES for [1-[(1R,2S,5S)-2-[[1-amino-3-(5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-6-yl)-1-oxopropan-2-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid is CC(C)(C)C(NC(=O)O)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CCc3ccnn31)C(N)=O)C2(C)C.

What is the InChIKey of [1-[(1R,2S,5S)-2-[[1-amino-3-(5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-6-yl)-1-oxopropan-2-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid?

The InChIKey is SLKAIKKMSJNBMH-IKBCJISJSA-N. The full InChI is InChI=1S/C24H36N6O5/c1-23(2,3)18(28-22(34)35)21(33)29-11-14-16(24(14,4)5)17(29)20(32)27-15(19(25)31)10-13-7-6-12-8-9-26-30(12)13/h8-9,13-18,28H,6-7,10-11H2,1-5H3,(H2,25,31)(H,27,32)(H,34,35)/t13?,14-,15?,16-,17-,18?/m0/s1.

What are the key properties of [1-[(1R,2S,5S)-2-[[1-amino-3-(5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-6-yl)-1-oxopropan-2-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid?

[1-[(1R,2S,5S)-2-[[1-amino-3-(5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-6-yl)-1-oxopropan-2-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid has a molecular weight of 488.59 g/mol, XLogP of 0.90, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[(1R,2S,5S)-2-[[1-amino-3-(5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-6-yl)-1-oxopropan-2-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid is sourced from PubChem (CID 170167359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).