2-[[5-amino-2-[[4-amino-2-[(2-amino-3-carboxypropanoyl)amino]-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoic acid

C19H32N6O9 — CID 18247433

About 2-[[5-amino-2-[[4-amino-2-[(2-amino-3-carboxypropanoyl)amino]-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoic acid

2-[[5-amino-2-[[4-amino-2-[(2-amino-3-carboxypropanoyl)amino]-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoic acid (PubChem CID 18247433) has the molecular formula C19H32N6O9 and a molecular weight of 488.50 g/mol. Its IUPAC name is 2-[[5-amino-2-[[4-amino-2-[(2-amino-3-carboxypropanoyl)amino]-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoic acid.

Molecular Properties

• Compound Name: 2-[[5-amino-2-[[4-amino-2-[(2-amino-3-carboxypropanoyl)amino]-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoic acid
• PubChem CID: 18247433
• Molecular Formula: C19H32N6O9
• Molecular Weight: 488.50 g/mol
• Exact Mass: 488.22
• IUPAC Name: 2-[[5-amino-2-[[4-amino-2-[(2-amino-3-carboxypropanoyl)amino]-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoic acid
• SMILES: CC(C)CC(NC(=O)C(CCC(N)=O)NC(=O)C(CC(N)=O)NC(=O)C(N)CC(=O)O)C(=O)O
• InChI: InChI=1S/C19H32N6O9/c1-8(2)5-12(19(33)34)25-17(31)10(3-4-13(21)26)23-18(32)11(7-14(22)27)24-16(30)9(20)6-15(28)29/h8-12H,3-7,20H2,1-2H3,(H2,21,26)(H2,22,27)(H,23,32)(H,24,30)(H,25,31)(H,28,29)(H,33,34)
• InChIKey: BGDYESYXPDPNDB-UHFFFAOYSA-N
• XLogP: -3.49
• TPSA: 274.10 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 8
• Rotatable Bonds: 16
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.50
LogP ≤ 5	-3.49
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[[5-amino-2-[[4-amino-2-[(2-amino-3-carboxypropanoyl)amino]-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoic acid?

The IUPAC name of 2-[[5-amino-2-[[4-amino-2-[(2-amino-3-carboxypropanoyl)amino]-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoic acid (CID 18247433) is 2-[[5-amino-2-[[4-amino-2-[(2-amino-3-carboxypropanoyl)amino]-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoic acid.

What is the SMILES notation for 2-[[5-amino-2-[[4-amino-2-[(2-amino-3-carboxypropanoyl)amino]-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoic acid?

The canonical SMILES for 2-[[5-amino-2-[[4-amino-2-[(2-amino-3-carboxypropanoyl)amino]-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoic acid is CC(C)CC(NC(=O)C(CCC(N)=O)NC(=O)C(CC(N)=O)NC(=O)C(N)CC(=O)O)C(=O)O.

What is the InChIKey of 2-[[5-amino-2-[[4-amino-2-[(2-amino-3-carboxypropanoyl)amino]-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoic acid?

The InChIKey is BGDYESYXPDPNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N6O9/c1-8(2)5-12(19(33)34)25-17(31)10(3-4-13(21)26)23-18(32)11(7-14(22)27)24-16(30)9(20)6-15(28)29/h8-12H,3-7,20H2,1-2H3,(H2,21,26)(H2,22,27)(H,23,32)(H,24,30)(H,25,31)(H,28,29)(H,33,34).

What are the key properties of 2-[[5-amino-2-[[4-amino-2-[(2-amino-3-carboxypropanoyl)amino]-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoic acid?

2-[[5-amino-2-[[4-amino-2-[(2-amino-3-carboxypropanoyl)amino]-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoic acid has a molecular weight of 488.50 g/mol, XLogP of -3.49, 16 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-amino-2-[[4-amino-2-[(2-amino-3-carboxypropanoyl)amino]-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 18247433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).