2-[[2-[[3-[[2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoyl]amino]-2,2,3-trimethylbutanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoic acid

C23H43N5O6 — CID 59947130

About 2-[[2-[[3-[[2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoyl]amino]-2,2,3-trimethylbutanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoic acid

2-[[2-[[3-[[2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoyl]amino]-2,2,3-trimethylbutanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoic acid (PubChem CID 59947130) has the molecular formula C23H43N5O6 and a molecular weight of 485.63 g/mol. Its IUPAC name is 2-[[2-[[3-[[2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoyl]amino]-2,2,3-trimethylbutanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoic acid.

Molecular Properties

• Compound Name: 2-[[2-[[3-[[2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoyl]amino]-2,2,3-trimethylbutanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoic acid
• PubChem CID: 59947130
• Molecular Formula: C23H43N5O6
• Molecular Weight: 485.63 g/mol
• Exact Mass: 485.32
• IUPAC Name: 2-[[2-[[3-[[2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoyl]amino]-2,2,3-trimethylbutanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoic acid
• SMILES: CC(C)(N)C(=O)NC(C)(C)C(=O)NC(C)(C)C(C)(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)O
• InChI: InChI=1S/C23H43N5O6/c1-18(2,13(29)25-20(5,6)15(31)27-22(9,10)17(33)34)23(11,12)28-16(32)21(7,8)26-14(30)19(3,4)24/h24H2,1-12H3,(H,25,29)(H,26,30)(H,27,31)(H,28,32)(H,33,34)
• InChIKey: FLOKTADJZROYCK-UHFFFAOYSA-N
• XLogP: 0.41
• TPSA: 179.72 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.63
LogP ≤ 5	0.41
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[3-[[2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoyl]amino]-2,2,3-trimethylbutanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoic acid?

The IUPAC name of 2-[[2-[[3-[[2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoyl]amino]-2,2,3-trimethylbutanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoic acid (CID 59947130) is 2-[[2-[[3-[[2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoyl]amino]-2,2,3-trimethylbutanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoic acid.

What is the SMILES notation for 2-[[2-[[3-[[2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoyl]amino]-2,2,3-trimethylbutanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoic acid?

The canonical SMILES for 2-[[2-[[3-[[2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoyl]amino]-2,2,3-trimethylbutanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoic acid is CC(C)(N)C(=O)NC(C)(C)C(=O)NC(C)(C)C(C)(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)O.

What is the InChIKey of 2-[[2-[[3-[[2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoyl]amino]-2,2,3-trimethylbutanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoic acid?

The InChIKey is FLOKTADJZROYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H43N5O6/c1-18(2,13(29)25-20(5,6)15(31)27-22(9,10)17(33)34)23(11,12)28-16(32)21(7,8)26-14(30)19(3,4)24/h24H2,1-12H3,(H,25,29)(H,26,30)(H,27,31)(H,28,32)(H,33,34).

What are the key properties of 2-[[2-[[3-[[2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoyl]amino]-2,2,3-trimethylbutanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoic acid?

2-[[2-[[3-[[2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoyl]amino]-2,2,3-trimethylbutanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoic acid has a molecular weight of 485.63 g/mol, XLogP of 0.41, 10 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[[3-[[2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoyl]amino]-2,2,3-trimethylbutanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 59947130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).