Demser

C₁₀H₁₃NO₃ — CID 6918925

About Demser

Demser (PubChem CID 6918925) has the molecular formula C₁₀H₁₃NO₃ and a molecular weight of 195.22 g/mol. Its IUPAC name is (2S)-2-azaniumyl-3-(4-hydroxyphenyl)-2-methylpropanoate.

Molecular Properties

• Compound Name: Demser
• PubChem CID: 6918925
• Molecular Formula: C₁₀H₁₃NO₃
• Molecular Weight: 195.22 g/mol
• Exact Mass: 195.09
• IUPAC Name: (2S)-2-azaniumyl-3-(4-hydroxyphenyl)-2-methylpropanoate
• SMILES: C[C@]([NH3+])(Cc1ccc(O)cc1)C(=O)[O-]
• InChI: InChI=1S/C10H13NO3/c1-10(11,9(13)14)6-7-2-4-8(12)5-3-7/h2-5,12H,6,11H2,1H3,(H,13,14)/t10-/m0/s1
• InChIKey: NHTGHBARYWONDQ-JTQLQIEISA-N
• XLogP: -1.31
• TPSA: 88.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	195.22
LogP ≤ 5	-1.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of Demser?

The IUPAC name of Demser (CID 6918925) is (2S)-2-azaniumyl-3-(4-hydroxyphenyl)-2-methylpropanoate.

What is the SMILES notation for Demser?

The canonical SMILES for Demser is C[C@]([NH3+])(Cc1ccc(O)cc1)C(=O)[O-].

What is the InChIKey of Demser?

The InChIKey is NHTGHBARYWONDQ-JTQLQIEISA-N. The full InChI is InChI=1S/C10H13NO3/c1-10(11,9(13)14)6-7-2-4-8(12)5-3-7/h2-5,12H,6,11H2,1H3,(H,13,14)/t10-/m0/s1.

What are the key properties of Demser?

Demser has a molecular weight of 195.22 g/mol, XLogP of -1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Demser is sourced from PubChem (CID 6918925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 6918925 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 1792 — approved-drug record (CC BY-SA 4.0)

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