6-[(2-hydroxyacetyl)amino]-2-[3-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)propanoylamino]hexanoic acid

C24H36N2O7 — CID 71092064

About 6-[(2-hydroxyacetyl)amino]-2-[3-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)propanoylamino]hexanoic acid

6-[(2-hydroxyacetyl)amino]-2-[3-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)propanoylamino]hexanoic acid (PubChem CID 71092064) has the molecular formula C24H36N2O7 and a molecular weight of 464.56 g/mol. Its IUPAC name is 6-[(2-hydroxyacetyl)amino]-2-[3-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)propanoylamino]hexanoic acid.

Molecular Properties

• Compound Name: 6-[(2-hydroxyacetyl)amino]-2-[3-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)propanoylamino]hexanoic acid
• PubChem CID: 71092064
• Molecular Formula: C24H36N2O7
• Molecular Weight: 464.56 g/mol
• Exact Mass: 464.25
• IUPAC Name: 6-[(2-hydroxyacetyl)amino]-2-[3-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)propanoylamino]hexanoic acid
• SMILES: Cc1c(C)c2c(c(C)c1O)CCC(C)(CCC(=O)NC(CCCCNC(=O)CO)C(=O)O)O2
• InChI: InChI=1S/C24H36N2O7/c1-14-15(2)22-17(16(3)21(14)30)8-10-24(4,33-22)11-9-19(28)26-18(23(31)32)7-5-6-12-25-20(29)13-27/h18,27,30H,5-13H2,1-4H3,(H,25,29)(H,26,28)(H,31,32)
• InChIKey: SMZQJKPGZVOWNT-UHFFFAOYSA-N
• XLogP: 2.03
• TPSA: 145.19 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.56
LogP ≤ 5	2.03
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[(2-hydroxyacetyl)amino]-2-[3-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)propanoylamino]hexanoic acid?

The IUPAC name of 6-[(2-hydroxyacetyl)amino]-2-[3-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)propanoylamino]hexanoic acid (CID 71092064) is 6-[(2-hydroxyacetyl)amino]-2-[3-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)propanoylamino]hexanoic acid.

What is the SMILES notation for 6-[(2-hydroxyacetyl)amino]-2-[3-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)propanoylamino]hexanoic acid?

The canonical SMILES for 6-[(2-hydroxyacetyl)amino]-2-[3-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)propanoylamino]hexanoic acid is Cc1c(C)c2c(c(C)c1O)CCC(C)(CCC(=O)NC(CCCCNC(=O)CO)C(=O)O)O2.

What is the InChIKey of 6-[(2-hydroxyacetyl)amino]-2-[3-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)propanoylamino]hexanoic acid?

The InChIKey is SMZQJKPGZVOWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O7/c1-14-15(2)22-17(16(3)21(14)30)8-10-24(4,33-22)11-9-19(28)26-18(23(31)32)7-5-6-12-25-20(29)13-27/h18,27,30H,5-13H2,1-4H3,(H,25,29)(H,26,28)(H,31,32).

What are the key properties of 6-[(2-hydroxyacetyl)amino]-2-[3-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)propanoylamino]hexanoic acid?

6-[(2-hydroxyacetyl)amino]-2-[3-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)propanoylamino]hexanoic acid has a molecular weight of 464.56 g/mol, XLogP of 2.03, 11 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(2-hydroxyacetyl)amino]-2-[3-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)propanoylamino]hexanoic acid is sourced from PubChem (CID 71092064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).