6-amino-2-[[2-[[2-(2,6-diaminohexanoylamino)-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]hexanoic acid

C24H48N6O5 — CID 18306457

About 6-amino-2-[[2-[[2-(2,6-diaminohexanoylamino)-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]hexanoic acid

6-amino-2-[[2-[[2-(2,6-diaminohexanoylamino)-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]hexanoic acid (PubChem CID 18306457) has the molecular formula C24H48N6O5 and a molecular weight of 500.69 g/mol. Its IUPAC name is 6-amino-2-[[2-[[2-(2,6-diaminohexanoylamino)-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]hexanoic acid.

Molecular Properties

• Compound Name: 6-amino-2-[[2-[[2-(2,6-diaminohexanoylamino)-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]hexanoic acid
• PubChem CID: 18306457
• Molecular Formula: C24H48N6O5
• Molecular Weight: 500.69 g/mol
• Exact Mass: 500.37
• IUPAC Name: 6-amino-2-[[2-[[2-(2,6-diaminohexanoylamino)-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]hexanoic acid
• SMILES: CCC(C)C(NC(=O)C(CC(C)C)NC(=O)C(N)CCCCN)C(=O)NC(CCCCN)C(=O)O
• InChI: InChI=1S/C24H48N6O5/c1-5-16(4)20(23(33)28-18(24(34)35)11-7-9-13-26)30-22(32)19(14-15(2)3)29-21(31)17(27)10-6-8-12-25/h15-20H,5-14,25-27H2,1-4H3,(H,28,33)(H,29,31)(H,30,32)(H,34,35)
• InChIKey: GTGFDYUWXPIZLC-UHFFFAOYSA-N
• XLogP: 0.20
• TPSA: 202.66 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 7
• Rotatable Bonds: 19
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.69
LogP ≤ 5	0.20
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	7

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-[[2-(2,6-diaminohexanoylamino)-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]hexanoic acid?

The IUPAC name of 6-amino-2-[[2-[[2-(2,6-diaminohexanoylamino)-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]hexanoic acid (CID 18306457) is 6-amino-2-[[2-[[2-(2,6-diaminohexanoylamino)-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]hexanoic acid.

What is the SMILES notation for 6-amino-2-[[2-[[2-(2,6-diaminohexanoylamino)-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]hexanoic acid?

The canonical SMILES for 6-amino-2-[[2-[[2-(2,6-diaminohexanoylamino)-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]hexanoic acid is CCC(C)C(NC(=O)C(CC(C)C)NC(=O)C(N)CCCCN)C(=O)NC(CCCCN)C(=O)O.

What is the InChIKey of 6-amino-2-[[2-[[2-(2,6-diaminohexanoylamino)-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]hexanoic acid?

The InChIKey is GTGFDYUWXPIZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48N6O5/c1-5-16(4)20(23(33)28-18(24(34)35)11-7-9-13-26)30-22(32)19(14-15(2)3)29-21(31)17(27)10-6-8-12-25/h15-20H,5-14,25-27H2,1-4H3,(H,28,33)(H,29,31)(H,30,32)(H,34,35).

What are the key properties of 6-amino-2-[[2-[[2-(2,6-diaminohexanoylamino)-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]hexanoic acid?

6-amino-2-[[2-[[2-(2,6-diaminohexanoylamino)-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]hexanoic acid has a molecular weight of 500.69 g/mol, XLogP of 0.20, 19 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-2-[[2-[[2-(2,6-diaminohexanoylamino)-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]hexanoic acid is sourced from PubChem (CID 18306457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).