[3-cyclohexyl-1-[[4-(cyclopropylamino)-1-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-3-hydroxy-4-oxobutan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid

C23H38N4O6 — CID 175379901

About [3-cyclohexyl-1-[[4-(cyclopropylamino)-1-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-3-hydroxy-4-oxobutan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid

[3-cyclohexyl-1-[[4-(cyclopropylamino)-1-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-3-hydroxy-4-oxobutan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid (PubChem CID 175379901) has the molecular formula C23H38N4O6 and a molecular weight of 466.58 g/mol. Its IUPAC name is [3-cyclohexyl-1-[[4-(cyclopropylamino)-1-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-3-hydroxy-4-oxobutan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid.

Molecular Properties

• Compound Name: [3-cyclohexyl-1-[[4-(cyclopropylamino)-1-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-3-hydroxy-4-oxobutan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid
• PubChem CID: 175379901
• Molecular Formula: C23H38N4O6
• Molecular Weight: 466.58 g/mol
• Exact Mass: 466.28
• IUPAC Name: [3-cyclohexyl-1-[[4-(cyclopropylamino)-1-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-3-hydroxy-4-oxobutan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid
• SMILES: CC1(C)CC(CC(NC(=O)C(CC2CCCCC2)NC(=O)O)C(O)C(=O)NC2CC2)C(=O)N1
• InChI: InChI=1S/C23H38N4O6/c1-23(2)12-14(19(29)27-23)11-16(18(28)21(31)24-15-8-9-15)25-20(30)17(26-22(32)33)10-13-6-4-3-5-7-13/h13-18,26,28H,3-12H2,1-2H3,(H,24,31)(H,25,30)(H,27,29)(H,32,33)
• InChIKey: GXTWGQQWVOGJLX-UHFFFAOYSA-N
• XLogP: 1.02
• TPSA: 156.86 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.58
LogP ≤ 5	1.02
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [3-cyclohexyl-1-[[4-(cyclopropylamino)-1-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-3-hydroxy-4-oxobutan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid?

The IUPAC name of [3-cyclohexyl-1-[[4-(cyclopropylamino)-1-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-3-hydroxy-4-oxobutan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid (CID 175379901) is [3-cyclohexyl-1-[[4-(cyclopropylamino)-1-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-3-hydroxy-4-oxobutan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid.

What is the SMILES notation for [3-cyclohexyl-1-[[4-(cyclopropylamino)-1-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-3-hydroxy-4-oxobutan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid?

The canonical SMILES for [3-cyclohexyl-1-[[4-(cyclopropylamino)-1-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-3-hydroxy-4-oxobutan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid is CC1(C)CC(CC(NC(=O)C(CC2CCCCC2)NC(=O)O)C(O)C(=O)NC2CC2)C(=O)N1.

What is the InChIKey of [3-cyclohexyl-1-[[4-(cyclopropylamino)-1-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-3-hydroxy-4-oxobutan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid?

The InChIKey is GXTWGQQWVOGJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N4O6/c1-23(2)12-14(19(29)27-23)11-16(18(28)21(31)24-15-8-9-15)25-20(30)17(26-22(32)33)10-13-6-4-3-5-7-13/h13-18,26,28H,3-12H2,1-2H3,(H,24,31)(H,25,30)(H,27,29)(H,32,33).

What are the key properties of [3-cyclohexyl-1-[[4-(cyclopropylamino)-1-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-3-hydroxy-4-oxobutan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid?

[3-cyclohexyl-1-[[4-(cyclopropylamino)-1-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-3-hydroxy-4-oxobutan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid has a molecular weight of 466.58 g/mol, XLogP of 1.02, 10 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [3-cyclohexyl-1-[[4-(cyclopropylamino)-1-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-3-hydroxy-4-oxobutan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid is sourced from PubChem (CID 175379901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).