bis(2-amino-3-hydroxybutanoic acid);2-amino-3-(1H-indol-3-yl)propanoic acid;bis(2,4-diamino-4-oxobutanoic acid);2,5-diamino-5-oxopentanoic acid

C32H56N10O17 — CID 174382903

About bis(2-amino-3-hydroxybutanoic acid);2-amino-3-(1H-indol-3-yl)propanoic acid;bis(2,4-diamino-4-oxobutanoic acid);2,5-diamino-5-oxopentanoic acid

bis(2-amino-3-hydroxybutanoic acid);2-amino-3-(1H-indol-3-yl)propanoic acid;bis(2,4-diamino-4-oxobutanoic acid);2,5-diamino-5-oxopentanoic acid (PubChem CID 174382903) has the molecular formula C32H56N10O17 and a molecular weight of 852.85 g/mol. Its IUPAC name is bis(2-amino-3-hydroxybutanoic acid);2-amino-3-(1H-indol-3-yl)propanoic acid;bis(2,4-diamino-4-oxobutanoic acid);2,5-diamino-5-oxopentanoic acid.

Molecular Properties

• Compound Name: bis(2-amino-3-hydroxybutanoic acid);2-amino-3-(1H-indol-3-yl)propanoic acid;bis(2,4-diamino-4-oxobutanoic acid);2,5-diamino-5-oxopentanoic acid
• PubChem CID: 174382903
• Molecular Formula: C32H56N10O17
• Molecular Weight: 852.85 g/mol
• Exact Mass: 852.38
• IUPAC Name: bis(2-amino-3-hydroxybutanoic acid);2-amino-3-(1H-indol-3-yl)propanoic acid;bis(2,4-diamino-4-oxobutanoic acid);2,5-diamino-5-oxopentanoic acid
• SMILES: CC(O)C(N)C(=O)O.CC(O)C(N)C(=O)O.NC(=O)CC(N)C(=O)O.NC(=O)CC(N)C(=O)O.NC(=O)CCC(N)C(=O)O.NC(Cc1c[nH]c2ccccc12)C(=O)O
• InChI: InChI=1S/C11H12N2O2.C5H10N2O3.2C4H8N2O3.2C4H9NO3/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10;6-3(5(9)10)1-2-4(7)8;2*5-2(4(8)9)1-3(6)7;2*1-2(6)3(5)4(7)8/h1-4,6,9,13H,5,12H2,(H,14,15);3H,1-2,6H2,(H2,7,8)(H,9,10);2*2H,1,5H2,(H2,6,7)(H,8,9);2*2-3,6H,5H2,1H3,(H,7,8)
• InChIKey: CALGZNFVFUETOT-UHFFFAOYSA-N
• XLogP: -6.11
• TPSA: 565.44 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 17
• Rotatable Bonds: 17
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	852.85
LogP ≤ 5	-6.11
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

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

The IUPAC name of bis(2-amino-3-hydroxybutanoic acid);2-amino-3-(1H-indol-3-yl)propanoic acid;bis(2,4-diamino-4-oxobutanoic acid);2,5-diamino-5-oxopentanoic acid (CID 174382903) is bis(2-amino-3-hydroxybutanoic acid);2-amino-3-(1H-indol-3-yl)propanoic acid;bis(2,4-diamino-4-oxobutanoic acid);2,5-diamino-5-oxopentanoic acid.

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

The canonical SMILES for bis(2-amino-3-hydroxybutanoic acid);2-amino-3-(1H-indol-3-yl)propanoic acid;bis(2,4-diamino-4-oxobutanoic acid);2,5-diamino-5-oxopentanoic acid is CC(O)C(N)C(=O)O.CC(O)C(N)C(=O)O.NC(=O)CC(N)C(=O)O.NC(=O)CC(N)C(=O)O.NC(=O)CCC(N)C(=O)O.NC(Cc1c[nH]c2ccccc12)C(=O)O.

What is the InChIKey of bis(2-amino-3-hydroxybutanoic acid);2-amino-3-(1H-indol-3-yl)propanoic acid;bis(2,4-diamino-4-oxobutanoic acid);2,5-diamino-5-oxopentanoic acid?

The InChIKey is CALGZNFVFUETOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2.C5H10N2O3.2C4H8N2O3.2C4H9NO3/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10;6-3(5(9)10)1-2-4(7)8;2*5-2(4(8)9)1-3(6)7;2*1-2(6)3(5)4(7)8/h1-4,6,9,13H,5,12H2,(H,14,15);3H,1-2,6H2,(H2,7,8)(H,9,10);2*2H,1,5H2,(H2,6,7)(H,8,9);2*2-3,6H,5H2,1H3,(H,7,8).

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

bis(2-amino-3-hydroxybutanoic acid);2-amino-3-(1H-indol-3-yl)propanoic acid;bis(2,4-diamino-4-oxobutanoic acid);2,5-diamino-5-oxopentanoic acid has a molecular weight of 852.85 g/mol, XLogP of -6.11, 17 rotatable bonds, 18 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-amino-3-hydroxybutanoic acid);2-amino-3-(1H-indol-3-yl)propanoic acid;bis(2,4-diamino-4-oxobutanoic acid);2,5-diamino-5-oxopentanoic acid is sourced from PubChem (CID 174382903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).