5-amino-2-[[2-[2-[(2-amino-4-methylpentanoyl)amino]propanoylamino]-3-methylpentanoyl]amino]-5-oxopentanoic acid

C20H37N5O6 — CID 22702638

About 5-amino-2-[[2-[2-[(2-amino-4-methylpentanoyl)amino]propanoylamino]-3-methylpentanoyl]amino]-5-oxopentanoic acid

5-amino-2-[[2-[2-[(2-amino-4-methylpentanoyl)amino]propanoylamino]-3-methylpentanoyl]amino]-5-oxopentanoic acid (PubChem CID 22702638) has the molecular formula C20H37N5O6 and a molecular weight of 443.55 g/mol. Its IUPAC name is 5-amino-2-[[2-[2-[(2-amino-4-methylpentanoyl)amino]propanoylamino]-3-methylpentanoyl]amino]-5-oxopentanoic acid.

Molecular Properties

• Compound Name: 5-amino-2-[[2-[2-[(2-amino-4-methylpentanoyl)amino]propanoylamino]-3-methylpentanoyl]amino]-5-oxopentanoic acid
• PubChem CID: 22702638
• Molecular Formula: C20H37N5O6
• Molecular Weight: 443.55 g/mol
• Exact Mass: 443.27
• IUPAC Name: 5-amino-2-[[2-[2-[(2-amino-4-methylpentanoyl)amino]propanoylamino]-3-methylpentanoyl]amino]-5-oxopentanoic acid
• SMILES: CCC(C)C(NC(=O)C(C)NC(=O)C(N)CC(C)C)C(=O)NC(CCC(N)=O)C(=O)O
• InChI: InChI=1S/C20H37N5O6/c1-6-11(4)16(19(29)24-14(20(30)31)7-8-15(22)26)25-17(27)12(5)23-18(28)13(21)9-10(2)3/h10-14,16H,6-9,21H2,1-5H3,(H2,22,26)(H,23,28)(H,24,29)(H,25,27)(H,30,31)
• InChIKey: IXAUFARNELGFFN-UHFFFAOYSA-N
• XLogP: -0.77
• TPSA: 193.71 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 6
• Rotatable Bonds: 14
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	443.55
LogP ≤ 5	-0.77
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[[2-[2-[(2-amino-4-methylpentanoyl)amino]propanoylamino]-3-methylpentanoyl]amino]-5-oxopentanoic acid?

The IUPAC name of 5-amino-2-[[2-[2-[(2-amino-4-methylpentanoyl)amino]propanoylamino]-3-methylpentanoyl]amino]-5-oxopentanoic acid (CID 22702638) is 5-amino-2-[[2-[2-[(2-amino-4-methylpentanoyl)amino]propanoylamino]-3-methylpentanoyl]amino]-5-oxopentanoic acid.

What is the SMILES notation for 5-amino-2-[[2-[2-[(2-amino-4-methylpentanoyl)amino]propanoylamino]-3-methylpentanoyl]amino]-5-oxopentanoic acid?

The canonical SMILES for 5-amino-2-[[2-[2-[(2-amino-4-methylpentanoyl)amino]propanoylamino]-3-methylpentanoyl]amino]-5-oxopentanoic acid is CCC(C)C(NC(=O)C(C)NC(=O)C(N)CC(C)C)C(=O)NC(CCC(N)=O)C(=O)O.

What is the InChIKey of 5-amino-2-[[2-[2-[(2-amino-4-methylpentanoyl)amino]propanoylamino]-3-methylpentanoyl]amino]-5-oxopentanoic acid?

The InChIKey is IXAUFARNELGFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N5O6/c1-6-11(4)16(19(29)24-14(20(30)31)7-8-15(22)26)25-17(27)12(5)23-18(28)13(21)9-10(2)3/h10-14,16H,6-9,21H2,1-5H3,(H2,22,26)(H,23,28)(H,24,29)(H,25,27)(H,30,31).

What are the key properties of 5-amino-2-[[2-[2-[(2-amino-4-methylpentanoyl)amino]propanoylamino]-3-methylpentanoyl]amino]-5-oxopentanoic acid?

5-amino-2-[[2-[2-[(2-amino-4-methylpentanoyl)amino]propanoylamino]-3-methylpentanoyl]amino]-5-oxopentanoic acid has a molecular weight of 443.55 g/mol, XLogP of -0.77, 14 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-2-[[2-[2-[(2-amino-4-methylpentanoyl)amino]propanoylamino]-3-methylpentanoyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 22702638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).