Disodium;(2S)-4-hydroxy-2-(propylamino)butanoic acid;carbonate

C₈H₁₅NNa₂O₆ — CID 161259430

About Disodium;(2S)-4-hydroxy-2-(propylamino)butanoic acid;carbonate

Disodium;(2S)-4-hydroxy-2-(propylamino)butanoic acid;carbonate (PubChem CID 161259430) has the molecular formula C₈H₁₅NNa₂O₆ and a molecular weight of 267.19 g/mol. Its IUPAC name is disodium;(2S)-4-hydroxy-2-(propylamino)butanoic acid;carbonate.

Molecular Properties

• Compound Name: Disodium;(2S)-4-hydroxy-2-(propylamino)butanoic acid;carbonate
• PubChem CID: 161259430
• Molecular Formula: C₈H₁₅NNa₂O₆
• Molecular Weight: 267.19 g/mol
• Exact Mass: 267.07
• IUPAC Name: disodium;(2S)-4-hydroxy-2-(propylamino)butanoic acid;carbonate
• SMILES: CCCN[C@@H](CCO)C(=O)O.O=C([O-])[O-].[Na+].[Na+]
• InChI: InChI=1S/C7H15NO3.CH2O3.2Na/c1-2-4-8-6(3-5-9)7(10)11;2-1(3)4;;/h6,8-9H,2-5H2,1H3,(H,10,11);(H2,2,3,4);;/q;;2*+1/p-2/t6-;;;/m0.../s1
• InChIKey: VHLQBBMEEZENMN-GSUNZCPGSA-L
• XLogP: -8.62
• TPSA: 132.75 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	267.19
LogP ≤ 5	-8.62
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of Disodium;(2S)-4-hydroxy-2-(propylamino)butanoic acid;carbonate?

The IUPAC name of Disodium;(2S)-4-hydroxy-2-(propylamino)butanoic acid;carbonate (CID 161259430) is disodium;(2S)-4-hydroxy-2-(propylamino)butanoic acid;carbonate.

What is the SMILES notation for Disodium;(2S)-4-hydroxy-2-(propylamino)butanoic acid;carbonate?

The canonical SMILES for Disodium;(2S)-4-hydroxy-2-(propylamino)butanoic acid;carbonate is CCCN[C@@H](CCO)C(=O)O.O=C([O-])[O-].[Na+].[Na+].

What is the InChIKey of Disodium;(2S)-4-hydroxy-2-(propylamino)butanoic acid;carbonate?

The InChIKey is VHLQBBMEEZENMN-GSUNZCPGSA-L. The full InChI is InChI=1S/C7H15NO3.CH2O3.2Na/c1-2-4-8-6(3-5-9)7(10)11;2-1(3)4;;/h6,8-9H,2-5H2,1H3,(H,10,11);(H2,2,3,4);;/q;;2*+1/p-2/t6-;;;/m0.../s1.

What are the key properties of Disodium;(2S)-4-hydroxy-2-(propylamino)butanoic acid;carbonate?

Disodium;(2S)-4-hydroxy-2-(propylamino)butanoic acid;carbonate has a molecular weight of 267.19 g/mol, XLogP of -8.62, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for Disodium;(2S)-4-hydroxy-2-(propylamino)butanoic acid;carbonate is sourced from PubChem (CID 161259430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 161259430 — identifiers, structure, computed properties (public domain)

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