6-amino-2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-4-carboxybutanoyl]amino]hexanoic acid

C15H28N4O7 — CID 18224280

About 6-amino-2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-4-carboxybutanoyl]amino]hexanoic acid

6-amino-2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-4-carboxybutanoyl]amino]hexanoic acid (PubChem CID 18224280) has the molecular formula C15H28N4O7 and a molecular weight of 376.41 g/mol. Its IUPAC name is 6-amino-2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-4-carboxybutanoyl]amino]hexanoic acid.

Molecular Properties

• Compound Name: 6-amino-2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-4-carboxybutanoyl]amino]hexanoic acid
• PubChem CID: 18224280
• Molecular Formula: C15H28N4O7
• Molecular Weight: 376.41 g/mol
• Exact Mass: 376.20
• IUPAC Name: 6-amino-2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-4-carboxybutanoyl]amino]hexanoic acid
• SMILES: CC(O)C(N)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)O
• InChI: InChI=1S/C15H28N4O7/c1-8(20)12(17)14(24)18-9(5-6-11(21)22)13(23)19-10(15(25)26)4-2-3-7-16/h8-10,12,20H,2-7,16-17H2,1H3,(H,18,24)(H,19,23)(H,21,22)(H,25,26)
• InChIKey: HJOSVGCWOTYJFG-UHFFFAOYSA-N
• XLogP: -2.26
• TPSA: 205.07 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	376.41
LogP ≤ 5	-2.26
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-amino-3-hydroxybutanoyl)amino]-4-carboxybutanoyl]amino]hexanoic acid?

The IUPAC name of 6-amino-2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-4-carboxybutanoyl]amino]hexanoic acid (CID 18224280) is 6-amino-2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-4-carboxybutanoyl]amino]hexanoic acid.

What is the SMILES notation for 6-amino-2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-4-carboxybutanoyl]amino]hexanoic acid?

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

What is the InChIKey of 6-amino-2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-4-carboxybutanoyl]amino]hexanoic acid?

The InChIKey is HJOSVGCWOTYJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O7/c1-8(20)12(17)14(24)18-9(5-6-11(21)22)13(23)19-10(15(25)26)4-2-3-7-16/h8-10,12,20H,2-7,16-17H2,1H3,(H,18,24)(H,19,23)(H,21,22)(H,25,26).

What are the key properties of 6-amino-2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-4-carboxybutanoyl]amino]hexanoic acid?

6-amino-2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-4-carboxybutanoyl]amino]hexanoic acid has a molecular weight of 376.41 g/mol, XLogP of -2.26, 13 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-amino-3-hydroxybutanoyl)amino]-4-carboxybutanoyl]amino]hexanoic acid is sourced from PubChem (CID 18224280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).