2-amino-3-hydroxybutanoic acid;2-amino-3-methylbutanoic acid;2,4-diamino-4-oxobutanoic acid

C13H28N4O8 — CID 138556645

About 2-amino-3-hydroxybutanoic acid;2-amino-3-methylbutanoic acid;2,4-diamino-4-oxobutanoic acid

2-amino-3-hydroxybutanoic acid;2-amino-3-methylbutanoic acid;2,4-diamino-4-oxobutanoic acid (PubChem CID 138556645) has the molecular formula C13H28N4O8 and a molecular weight of 368.39 g/mol. Its IUPAC name is 2-amino-3-hydroxybutanoic acid;2-amino-3-methylbutanoic acid;2,4-diamino-4-oxobutanoic acid.

Molecular Properties

• Compound Name: 2-amino-3-hydroxybutanoic acid;2-amino-3-methylbutanoic acid;2,4-diamino-4-oxobutanoic acid
• PubChem CID: 138556645
• Molecular Formula: C13H28N4O8
• Molecular Weight: 368.39 g/mol
• Exact Mass: 368.19
• IUPAC Name: 2-amino-3-hydroxybutanoic acid;2-amino-3-methylbutanoic acid;2,4-diamino-4-oxobutanoic acid
• SMILES: CC(C)C(N)C(=O)O.CC(O)C(N)C(=O)O.NC(=O)CC(N)C(=O)O
• InChI: InChI=1S/C5H11NO2.C4H8N2O3.C4H9NO3/c1-3(2)4(6)5(7)8;5-2(4(8)9)1-3(6)7;1-2(6)3(5)4(7)8/h3-4H,6H2,1-2H3,(H,7,8);2H,1,5H2,(H2,6,7)(H,8,9);2-3,6H,5H2,1H3,(H,7,8)
• InChIKey: CJTCOHBFRRIWOS-UHFFFAOYSA-N
• XLogP: -2.89
• TPSA: 253.28 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	368.39
LogP ≤ 5	-2.89
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxybutanoic acid;2-amino-3-methylbutanoic acid;2,4-diamino-4-oxobutanoic acid?

The IUPAC name of 2-amino-3-hydroxybutanoic acid;2-amino-3-methylbutanoic acid;2,4-diamino-4-oxobutanoic acid (CID 138556645) is 2-amino-3-hydroxybutanoic acid;2-amino-3-methylbutanoic acid;2,4-diamino-4-oxobutanoic acid.

What is the SMILES notation for 2-amino-3-hydroxybutanoic acid;2-amino-3-methylbutanoic acid;2,4-diamino-4-oxobutanoic acid?

The canonical SMILES for 2-amino-3-hydroxybutanoic acid;2-amino-3-methylbutanoic acid;2,4-diamino-4-oxobutanoic acid is CC(C)C(N)C(=O)O.CC(O)C(N)C(=O)O.NC(=O)CC(N)C(=O)O.

What is the InChIKey of 2-amino-3-hydroxybutanoic acid;2-amino-3-methylbutanoic acid;2,4-diamino-4-oxobutanoic acid?

The InChIKey is CJTCOHBFRRIWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2.C4H8N2O3.C4H9NO3/c1-3(2)4(6)5(7)8;5-2(4(8)9)1-3(6)7;1-2(6)3(5)4(7)8/h3-4H,6H2,1-2H3,(H,7,8);2H,1,5H2,(H2,6,7)(H,8,9);2-3,6H,5H2,1H3,(H,7,8).

What are the key properties of 2-amino-3-hydroxybutanoic acid;2-amino-3-methylbutanoic acid;2,4-diamino-4-oxobutanoic acid?

2-amino-3-hydroxybutanoic acid;2-amino-3-methylbutanoic acid;2,4-diamino-4-oxobutanoic acid has a molecular weight of 368.39 g/mol, XLogP of -2.89, 7 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-3-hydroxybutanoic acid;2-amino-3-methylbutanoic acid;2,4-diamino-4-oxobutanoic acid is sourced from PubChem (CID 138556645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).