6-amino-2-[[2-[[4-amino-2-[(2-amino-4-carboxybutanoyl)amino]-4-oxobutanoyl]amino]-4-carboxybutanoyl]amino]hexanoic acid

C20H34N6O10 — CID 18263363

About 6-amino-2-[[2-[[4-amino-2-[(2-amino-4-carboxybutanoyl)amino]-4-oxobutanoyl]amino]-4-carboxybutanoyl]amino]hexanoic acid

6-amino-2-[[2-[[4-amino-2-[(2-amino-4-carboxybutanoyl)amino]-4-oxobutanoyl]amino]-4-carboxybutanoyl]amino]hexanoic acid (PubChem CID 18263363) has the molecular formula C20H34N6O10 and a molecular weight of 518.52 g/mol. Its IUPAC name is 6-amino-2-[[2-[[4-amino-2-[(2-amino-4-carboxybutanoyl)amino]-4-oxobutanoyl]amino]-4-carboxybutanoyl]amino]hexanoic acid.

Molecular Properties

• Compound Name: 6-amino-2-[[2-[[4-amino-2-[(2-amino-4-carboxybutanoyl)amino]-4-oxobutanoyl]amino]-4-carboxybutanoyl]amino]hexanoic acid
• PubChem CID: 18263363
• Molecular Formula: C20H34N6O10
• Molecular Weight: 518.52 g/mol
• Exact Mass: 518.23
• IUPAC Name: 6-amino-2-[[2-[[4-amino-2-[(2-amino-4-carboxybutanoyl)amino]-4-oxobutanoyl]amino]-4-carboxybutanoyl]amino]hexanoic acid
• SMILES: NCCCCC(NC(=O)C(CCC(=O)O)NC(=O)C(CC(N)=O)NC(=O)C(N)CCC(=O)O)C(=O)O
• InChI: InChI=1S/C20H34N6O10/c21-8-2-1-3-12(20(35)36)25-18(33)11(5-7-16(30)31)24-19(34)13(9-14(23)27)26-17(32)10(22)4-6-15(28)29/h10-13H,1-9,21-22H2,(H2,23,27)(H,24,34)(H,25,33)(H,26,32)(H,28,29)(H,30,31)(H,35,36)
• InChIKey: UKHHQBAZXFMSCY-UHFFFAOYSA-N
• XLogP: -3.41
• TPSA: 294.33 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 9
• Rotatable Bonds: 19
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	518.52
LogP ≤ 5	-3.41
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[[2-[[4-amino-2-[(2-amino-4-carboxybutanoyl)amino]-4-oxobutanoyl]amino]-4-carboxybutanoyl]amino]hexanoic acid?

The IUPAC name of 6-amino-2-[[2-[[4-amino-2-[(2-amino-4-carboxybutanoyl)amino]-4-oxobutanoyl]amino]-4-carboxybutanoyl]amino]hexanoic acid (CID 18263363) is 6-amino-2-[[2-[[4-amino-2-[(2-amino-4-carboxybutanoyl)amino]-4-oxobutanoyl]amino]-4-carboxybutanoyl]amino]hexanoic acid.

What is the SMILES notation for 6-amino-2-[[2-[[4-amino-2-[(2-amino-4-carboxybutanoyl)amino]-4-oxobutanoyl]amino]-4-carboxybutanoyl]amino]hexanoic acid?

The canonical SMILES for 6-amino-2-[[2-[[4-amino-2-[(2-amino-4-carboxybutanoyl)amino]-4-oxobutanoyl]amino]-4-carboxybutanoyl]amino]hexanoic acid is NCCCCC(NC(=O)C(CCC(=O)O)NC(=O)C(CC(N)=O)NC(=O)C(N)CCC(=O)O)C(=O)O.

What is the InChIKey of 6-amino-2-[[2-[[4-amino-2-[(2-amino-4-carboxybutanoyl)amino]-4-oxobutanoyl]amino]-4-carboxybutanoyl]amino]hexanoic acid?

The InChIKey is UKHHQBAZXFMSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N6O10/c21-8-2-1-3-12(20(35)36)25-18(33)11(5-7-16(30)31)24-19(34)13(9-14(23)27)26-17(32)10(22)4-6-15(28)29/h10-13H,1-9,21-22H2,(H2,23,27)(H,24,34)(H,25,33)(H,26,32)(H,28,29)(H,30,31)(H,35,36).

What are the key properties of 6-amino-2-[[2-[[4-amino-2-[(2-amino-4-carboxybutanoyl)amino]-4-oxobutanoyl]amino]-4-carboxybutanoyl]amino]hexanoic acid?

6-amino-2-[[2-[[4-amino-2-[(2-amino-4-carboxybutanoyl)amino]-4-oxobutanoyl]amino]-4-carboxybutanoyl]amino]hexanoic acid has a molecular weight of 518.52 g/mol, XLogP of -3.41, 19 rotatable bonds, 9 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-2-[[2-[[4-amino-2-[(2-amino-4-carboxybutanoyl)amino]-4-oxobutanoyl]amino]-4-carboxybutanoyl]amino]hexanoic acid is sourced from PubChem (CID 18263363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).