2-amino-3-hydroxypropanoic acid;2-amino-3-(1H-imidazol-5-yl)propanoic acid;2,4-diamino-4-oxobutanoic acid

C13H24N6O8 — CID 19078893

About 2-amino-3-hydroxypropanoic acid;2-amino-3-(1H-imidazol-5-yl)propanoic acid;2,4-diamino-4-oxobutanoic acid

2-amino-3-hydroxypropanoic acid;2-amino-3-(1H-imidazol-5-yl)propanoic acid;2,4-diamino-4-oxobutanoic acid (PubChem CID 19078893) has the molecular formula C13H24N6O8 and a molecular weight of 392.37 g/mol. Its IUPAC name is 2-amino-3-hydroxypropanoic acid;2-amino-3-(1H-imidazol-5-yl)propanoic acid;2,4-diamino-4-oxobutanoic acid.

Molecular Properties

• Compound Name: 2-amino-3-hydroxypropanoic acid;2-amino-3-(1H-imidazol-5-yl)propanoic acid;2,4-diamino-4-oxobutanoic acid
• PubChem CID: 19078893
• Molecular Formula: C13H24N6O8
• Molecular Weight: 392.37 g/mol
• Exact Mass: 392.17
• IUPAC Name: 2-amino-3-hydroxypropanoic acid;2-amino-3-(1H-imidazol-5-yl)propanoic acid;2,4-diamino-4-oxobutanoic acid
• SMILES: NC(=O)CC(N)C(=O)O.NC(CO)C(=O)O.NC(Cc1cnc[nH]1)C(=O)O
• InChI: InChI=1S/C6H9N3O2.C4H8N2O3.C3H7NO3/c7-5(6(10)11)1-4-2-8-3-9-4;5-2(4(8)9)1-3(6)7;4-2(1-5)3(6)7/h2-3,5H,1,7H2,(H,8,9)(H,10,11);2H,1,5H2,(H2,6,7)(H,8,9);2,5H,1,4H2,(H,6,7)
• InChIKey: RMZRJUMALZSSKX-UHFFFAOYSA-N
• XLogP: -3.97
• TPSA: 281.96 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	392.37
LogP ≤ 5	-3.97
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxypropanoic acid;2-amino-3-(1H-imidazol-5-yl)propanoic acid;2,4-diamino-4-oxobutanoic acid?

The IUPAC name of 2-amino-3-hydroxypropanoic acid;2-amino-3-(1H-imidazol-5-yl)propanoic acid;2,4-diamino-4-oxobutanoic acid (CID 19078893) is 2-amino-3-hydroxypropanoic acid;2-amino-3-(1H-imidazol-5-yl)propanoic acid;2,4-diamino-4-oxobutanoic acid.

What is the SMILES notation for 2-amino-3-hydroxypropanoic acid;2-amino-3-(1H-imidazol-5-yl)propanoic acid;2,4-diamino-4-oxobutanoic acid?

The canonical SMILES for 2-amino-3-hydroxypropanoic acid;2-amino-3-(1H-imidazol-5-yl)propanoic acid;2,4-diamino-4-oxobutanoic acid is NC(=O)CC(N)C(=O)O.NC(CO)C(=O)O.NC(Cc1cnc[nH]1)C(=O)O.

What is the InChIKey of 2-amino-3-hydroxypropanoic acid;2-amino-3-(1H-imidazol-5-yl)propanoic acid;2,4-diamino-4-oxobutanoic acid?

The InChIKey is RMZRJUMALZSSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2.C4H8N2O3.C3H7NO3/c7-5(6(10)11)1-4-2-8-3-9-4;5-2(4(8)9)1-3(6)7;4-2(1-5)3(6)7/h2-3,5H,1,7H2,(H,8,9)(H,10,11);2H,1,5H2,(H2,6,7)(H,8,9);2,5H,1,4H2,(H,6,7).

What are the key properties of 2-amino-3-hydroxypropanoic acid;2-amino-3-(1H-imidazol-5-yl)propanoic acid;2,4-diamino-4-oxobutanoic acid?

2-amino-3-hydroxypropanoic acid;2-amino-3-(1H-imidazol-5-yl)propanoic acid;2,4-diamino-4-oxobutanoic acid has a molecular weight of 392.37 g/mol, XLogP of -3.97, 8 rotatable bonds, 9 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-3-hydroxypropanoic acid;2-amino-3-(1H-imidazol-5-yl)propanoic acid;2,4-diamino-4-oxobutanoic acid is sourced from PubChem (CID 19078893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).