2-[[4-amino-2-[[4-amino-2-[(2,4-diamino-4-oxobutanoyl)amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]propanoic acid

C15H25N7O8 — CID 22652915

About 2-[[4-amino-2-[[4-amino-2-[(2,4-diamino-4-oxobutanoyl)amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]propanoic acid

2-[[4-amino-2-[[4-amino-2-[(2,4-diamino-4-oxobutanoyl)amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]propanoic acid (PubChem CID 22652915) has the molecular formula C15H25N7O8 and a molecular weight of 431.41 g/mol. Its IUPAC name is 2-[[4-amino-2-[[4-amino-2-[(2,4-diamino-4-oxobutanoyl)amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]propanoic acid.

Molecular Properties

• Compound Name: 2-[[4-amino-2-[[4-amino-2-[(2,4-diamino-4-oxobutanoyl)amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]propanoic acid
• PubChem CID: 22652915
• Molecular Formula: C15H25N7O8
• Molecular Weight: 431.41 g/mol
• Exact Mass: 431.18
• IUPAC Name: 2-[[4-amino-2-[[4-amino-2-[(2,4-diamino-4-oxobutanoyl)amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]propanoic acid
• SMILES: CC(NC(=O)C(CC(N)=O)NC(=O)C(CC(N)=O)NC(=O)C(N)CC(N)=O)C(=O)O
• InChI: InChI=1S/C15H25N7O8/c1-5(15(29)30)20-13(27)7(3-10(18)24)22-14(28)8(4-11(19)25)21-12(26)6(16)2-9(17)23/h5-8H,2-4,16H2,1H3,(H2,17,23)(H2,18,24)(H2,19,25)(H,20,27)(H,21,26)(H,22,28)(H,29,30)
• InChIKey: NGIKOBNBRYNHCW-UHFFFAOYSA-N
• XLogP: -5.50
• TPSA: 279.89 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	431.41
LogP ≤ 5	-5.50
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[[4-amino-2-[[4-amino-2-[(2,4-diamino-4-oxobutanoyl)amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]propanoic acid?

The IUPAC name of 2-[[4-amino-2-[[4-amino-2-[(2,4-diamino-4-oxobutanoyl)amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]propanoic acid (CID 22652915) is 2-[[4-amino-2-[[4-amino-2-[(2,4-diamino-4-oxobutanoyl)amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]propanoic acid.

What is the SMILES notation for 2-[[4-amino-2-[[4-amino-2-[(2,4-diamino-4-oxobutanoyl)amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]propanoic acid?

The canonical SMILES for 2-[[4-amino-2-[[4-amino-2-[(2,4-diamino-4-oxobutanoyl)amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]propanoic acid is CC(NC(=O)C(CC(N)=O)NC(=O)C(CC(N)=O)NC(=O)C(N)CC(N)=O)C(=O)O.

What is the InChIKey of 2-[[4-amino-2-[[4-amino-2-[(2,4-diamino-4-oxobutanoyl)amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]propanoic acid?

The InChIKey is NGIKOBNBRYNHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N7O8/c1-5(15(29)30)20-13(27)7(3-10(18)24)22-14(28)8(4-11(19)25)21-12(26)6(16)2-9(17)23/h5-8H,2-4,16H2,1H3,(H2,17,23)(H2,18,24)(H2,19,25)(H,20,27)(H,21,26)(H,22,28)(H,29,30).

What are the key properties of 2-[[4-amino-2-[[4-amino-2-[(2,4-diamino-4-oxobutanoyl)amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]propanoic acid?

2-[[4-amino-2-[[4-amino-2-[(2,4-diamino-4-oxobutanoyl)amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]propanoic acid has a molecular weight of 431.41 g/mol, XLogP of -5.50, 13 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-amino-2-[[4-amino-2-[(2,4-diamino-4-oxobutanoyl)amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]propanoic acid is sourced from PubChem (CID 22652915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).