N-[1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide;3-formamido-2-hydroxy-4-(2-oxopyrrolidin-3-yl)butanamide

C27H47N5O6 — CID 168941842

About N-[1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide;3-formamido-2-hydroxy-4-(2-oxopyrrolidin-3-yl)butanamide

N-[1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide;3-formamido-2-hydroxy-4-(2-oxopyrrolidin-3-yl)butanamide (PubChem CID 168941842) has the molecular formula C27H47N5O6 and a molecular weight of 537.70 g/mol. Its IUPAC name is N-[1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide;3-formamido-2-hydroxy-4-(2-oxopyrrolidin-3-yl)butanamide.

Molecular Properties

• Compound Name: N-[1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide;3-formamido-2-hydroxy-4-(2-oxopyrrolidin-3-yl)butanamide
• PubChem CID: 168941842
• Molecular Formula: C27H47N5O6
• Molecular Weight: 537.70 g/mol
• Exact Mass: 537.35
• IUPAC Name: N-[1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide;3-formamido-2-hydroxy-4-(2-oxopyrrolidin-3-yl)butanamide
• SMILES: CC(C)(C)C(=O)NC(C(=O)N1CC2C(C1)C2(C)C)C(C)(C)C.NC(=O)C(O)C(CC1CCNC1=O)NC=O
• InChI: InChI=1S/C18H32N2O2.C9H15N3O4/c1-16(2,3)13(19-15(22)17(4,5)6)14(21)20-9-11-12(10-20)18(11,7)8;10-8(15)7(14)6(12-4-13)3-5-1-2-11-9(5)16/h11-13H,9-10H2,1-8H3,(H,19,22);4-7,14H,1-3H2,(H2,10,15)(H,11,16)(H,12,13)
• InChIKey: XEBPEVJXSODVFI-UHFFFAOYSA-N
• XLogP: 0.15
• TPSA: 170.93 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	537.70
LogP ≤ 5	0.15
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide;3-formamido-2-hydroxy-4-(2-oxopyrrolidin-3-yl)butanamide?

The IUPAC name of N-[1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide;3-formamido-2-hydroxy-4-(2-oxopyrrolidin-3-yl)butanamide (CID 168941842) is N-[1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide;3-formamido-2-hydroxy-4-(2-oxopyrrolidin-3-yl)butanamide.

What is the SMILES notation for N-[1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide;3-formamido-2-hydroxy-4-(2-oxopyrrolidin-3-yl)butanamide?

The canonical SMILES for N-[1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide;3-formamido-2-hydroxy-4-(2-oxopyrrolidin-3-yl)butanamide is CC(C)(C)C(=O)NC(C(=O)N1CC2C(C1)C2(C)C)C(C)(C)C.NC(=O)C(O)C(CC1CCNC1=O)NC=O.

What is the InChIKey of N-[1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide;3-formamido-2-hydroxy-4-(2-oxopyrrolidin-3-yl)butanamide?

The InChIKey is XEBPEVJXSODVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2.C9H15N3O4/c1-16(2,3)13(19-15(22)17(4,5)6)14(21)20-9-11-12(10-20)18(11,7)8;10-8(15)7(14)6(12-4-13)3-5-1-2-11-9(5)16/h11-13H,9-10H2,1-8H3,(H,19,22);4-7,14H,1-3H2,(H2,10,15)(H,11,16)(H,12,13).

What are the key properties of N-[1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide;3-formamido-2-hydroxy-4-(2-oxopyrrolidin-3-yl)butanamide?

N-[1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide;3-formamido-2-hydroxy-4-(2-oxopyrrolidin-3-yl)butanamide has a molecular weight of 537.70 g/mol, XLogP of 0.15, 8 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide;3-formamido-2-hydroxy-4-(2-oxopyrrolidin-3-yl)butanamide is sourced from PubChem (CID 168941842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).