2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;2-amino-4-methylsulfanylbutanoic acid;2-amino-3-sulfanylpropanoic acid;2,4-diamino-4-oxobutanoic acid;2,5-diamino-5-oxopentanoic acid

C24H52N8O16S2 — CID 23126093

About 2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;2-amino-4-methylsulfanylbutanoic acid;2-amino-3-sulfanylpropanoic acid;2,4-diamino-4-oxobutanoic acid;2,5-diamino-5-oxopentanoic acid

2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;2-amino-4-methylsulfanylbutanoic acid;2-amino-3-sulfanylpropanoic acid;2,4-diamino-4-oxobutanoic acid;2,5-diamino-5-oxopentanoic acid (PubChem CID 23126093) has the molecular formula C24H52N8O16S2 and a molecular weight of 772.85 g/mol. Its IUPAC name is 2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;2-amino-4-methylsulfanylbutanoic acid;2-amino-3-sulfanylpropanoic acid;2,4-diamino-4-oxobutanoic acid;2,5-diamino-5-oxopentanoic acid.

Molecular Properties

• Compound Name: 2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;2-amino-4-methylsulfanylbutanoic acid;2-amino-3-sulfanylpropanoic acid;2,4-diamino-4-oxobutanoic acid;2,5-diamino-5-oxopentanoic acid
• PubChem CID: 23126093
• Molecular Formula: C24H52N8O16S2
• Molecular Weight: 772.85 g/mol
• Exact Mass: 772.29
• IUPAC Name: 2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;2-amino-4-methylsulfanylbutanoic acid;2-amino-3-sulfanylpropanoic acid;2,4-diamino-4-oxobutanoic acid;2,5-diamino-5-oxopentanoic acid
• SMILES: CC(O)C(N)C(=O)O.CSCCC(N)C(=O)O.NC(=O)CC(N)C(=O)O.NC(=O)CCC(N)C(=O)O.NC(CO)C(=O)O.NC(CS)C(=O)O
• InChI: InChI=1S/C5H10N2O3.C5H11NO2S.C4H8N2O3.C4H9NO3.C3H7NO3.C3H7NO2S/c6-3(5(9)10)1-2-4(7)8;1-9-3-2-4(6)5(7)8;5-2(4(8)9)1-3(6)7;1-2(6)3(5)4(7)8;4-2(1-5)3(6)7;4-2(1-7)3(5)6/h3H,1-2,6H2,(H2,7,8)(H,9,10);4H,2-3,6H2,1H3,(H,7,8);2H,1,5H2,(H2,6,7)(H,8,9);2-3,6H,5H2,1H3,(H,7,8);2,5H,1,4H2,(H,6,7);2,7H,1,4H2,(H,5,6)
• InChIKey: ZIWHGFXNUXMCGX-UHFFFAOYSA-N
• XLogP: -6.41
• TPSA: 506.56 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 18
• Rotatable Bonds: 17
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	772.85
LogP ≤ 5	-6.41
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;2-amino-4-methylsulfanylbutanoic acid;2-amino-3-sulfanylpropanoic acid;2,4-diamino-4-oxobutanoic acid;2,5-diamino-5-oxopentanoic acid?

The IUPAC name of 2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;2-amino-4-methylsulfanylbutanoic acid;2-amino-3-sulfanylpropanoic acid;2,4-diamino-4-oxobutanoic acid;2,5-diamino-5-oxopentanoic acid (CID 23126093) is 2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;2-amino-4-methylsulfanylbutanoic acid;2-amino-3-sulfanylpropanoic acid;2,4-diamino-4-oxobutanoic acid;2,5-diamino-5-oxopentanoic acid.

What is the SMILES notation for 2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;2-amino-4-methylsulfanylbutanoic acid;2-amino-3-sulfanylpropanoic acid;2,4-diamino-4-oxobutanoic acid;2,5-diamino-5-oxopentanoic acid?

The canonical SMILES for 2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;2-amino-4-methylsulfanylbutanoic acid;2-amino-3-sulfanylpropanoic acid;2,4-diamino-4-oxobutanoic acid;2,5-diamino-5-oxopentanoic acid is CC(O)C(N)C(=O)O.CSCCC(N)C(=O)O.NC(=O)CC(N)C(=O)O.NC(=O)CCC(N)C(=O)O.NC(CO)C(=O)O.NC(CS)C(=O)O.

What is the InChIKey of 2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;2-amino-4-methylsulfanylbutanoic acid;2-amino-3-sulfanylpropanoic acid;2,4-diamino-4-oxobutanoic acid;2,5-diamino-5-oxopentanoic acid?

The InChIKey is ZIWHGFXNUXMCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O3.C5H11NO2S.C4H8N2O3.C4H9NO3.C3H7NO3.C3H7NO2S/c6-3(5(9)10)1-2-4(7)8;1-9-3-2-4(6)5(7)8;5-2(4(8)9)1-3(6)7;1-2(6)3(5)4(7)8;4-2(1-5)3(6)7;4-2(1-7)3(5)6/h3H,1-2,6H2,(H2,7,8)(H,9,10);4H,2-3,6H2,1H3,(H,7,8);2H,1,5H2,(H2,6,7)(H,8,9);2-3,6H,5H2,1H3,(H,7,8);2,5H,1,4H2,(H,6,7);2,7H,1,4H2,(H,5,6).

What are the key properties of 2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;2-amino-4-methylsulfanylbutanoic acid;2-amino-3-sulfanylpropanoic acid;2,4-diamino-4-oxobutanoic acid;2,5-diamino-5-oxopentanoic acid?

2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;2-amino-4-methylsulfanylbutanoic acid;2-amino-3-sulfanylpropanoic acid;2,4-diamino-4-oxobutanoic acid;2,5-diamino-5-oxopentanoic acid has a molecular weight of 772.85 g/mol, XLogP of -6.41, 17 rotatable bonds, 17 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;2-amino-4-methylsulfanylbutanoic acid;2-amino-3-sulfanylpropanoic acid;2,4-diamino-4-oxobutanoic acid;2,5-diamino-5-oxopentanoic acid is sourced from PubChem (CID 23126093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).