(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;(2S)-2-amino-4-methylsulfanylbutanoic acid

C11H20N4O4S — CID 20673262

About (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;(2S)-2-amino-4-methylsulfanylbutanoic acid

(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;(2S)-2-amino-4-methylsulfanylbutanoic acid (PubChem CID 20673262) has the molecular formula C11H20N4O4S and a molecular weight of 304.37 g/mol. Its IUPAC name is (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;(2S)-2-amino-4-methylsulfanylbutanoic acid.

Molecular Properties

• Compound Name: (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;(2S)-2-amino-4-methylsulfanylbutanoic acid
• PubChem CID: 20673262
• Molecular Formula: C11H20N4O4S
• Molecular Weight: 304.37 g/mol
• Exact Mass: 304.12
• IUPAC Name: (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;(2S)-2-amino-4-methylsulfanylbutanoic acid
• SMILES: CSCC[C@H](N)C(=O)O.N[C@@H](Cc1cnc[nH]1)C(=O)O
• InChI: InChI=1S/C6H9N3O2.C5H11NO2S/c7-5(6(10)11)1-4-2-8-3-9-4;1-9-3-2-4(6)5(7)8/h2-3,5H,1,7H2,(H,8,9)(H,10,11);4H,2-3,6H2,1H3,(H,7,8)/t5-;4-/m00/s1
• InChIKey: ZVZBYTMPVYSMLL-VDQHJUMDSA-N
• XLogP: -0.48
• TPSA: 155.32 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	304.37
LogP ≤ 5	-0.48
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;(2S)-2-amino-4-methylsulfanylbutanoic acid?

The IUPAC name of (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;(2S)-2-amino-4-methylsulfanylbutanoic acid (CID 20673262) is (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;(2S)-2-amino-4-methylsulfanylbutanoic acid.

What is the SMILES notation for (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;(2S)-2-amino-4-methylsulfanylbutanoic acid?

The canonical SMILES for (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;(2S)-2-amino-4-methylsulfanylbutanoic acid is CSCC[C@H](N)C(=O)O.N[C@@H](Cc1cnc[nH]1)C(=O)O.

What is the InChIKey of (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;(2S)-2-amino-4-methylsulfanylbutanoic acid?

The InChIKey is ZVZBYTMPVYSMLL-VDQHJUMDSA-N. The full InChI is InChI=1S/C6H9N3O2.C5H11NO2S/c7-5(6(10)11)1-4-2-8-3-9-4;1-9-3-2-4(6)5(7)8/h2-3,5H,1,7H2,(H,8,9)(H,10,11);4H,2-3,6H2,1H3,(H,7,8)/t5-;4-/m00/s1.

What are the key properties of (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;(2S)-2-amino-4-methylsulfanylbutanoic acid?

(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;(2S)-2-amino-4-methylsulfanylbutanoic acid has a molecular weight of 304.37 g/mol, XLogP of -0.48, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;(2S)-2-amino-4-methylsulfanylbutanoic acid is sourced from PubChem (CID 20673262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).