1-(methylamino)ethanol;propanoic acid

C₆H₁₅NO₃ — CID 173051443

About 1-(methylamino)ethanol;propanoic acid

1-(methylamino)ethanol;propanoic acid (PubChem CID 173051443) has the molecular formula C₆H₁₅NO₃ and a molecular weight of 149.19 g/mol. Its IUPAC name is 1-(methylamino)ethanol;propanoic acid.

Molecular Properties

• Compound Name: 1-(methylamino)ethanol;propanoic acid
• PubChem CID: 173051443
• Molecular Formula: C₆H₁₅NO₃
• Molecular Weight: 149.19 g/mol
• Exact Mass: 149.11
• IUPAC Name: 1-(methylamino)ethanol;propanoic acid
• SMILES: CCC(=O)O.CNC(C)O
• InChI: InChI=1S/C3H9NO.C3H6O2/c1-3(5)4-2;1-2-3(4)5/h3-5H,1-2H3;2H2,1H3,(H,4,5)
• InChIKey: OGDQIQBBQZIDNI-UHFFFAOYSA-N
• XLogP: 0.03
• TPSA: 69.56 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 10
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	149.19
LogP ≤ 5	0.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)ethanol;propanoic acid?

The IUPAC name of 1-(methylamino)ethanol;propanoic acid (CID 173051443) is 1-(methylamino)ethanol;propanoic acid.

What is the SMILES notation for 1-(methylamino)ethanol;propanoic acid?

The canonical SMILES for 1-(methylamino)ethanol;propanoic acid is CCC(=O)O.CNC(C)O.

What is the InChIKey of 1-(methylamino)ethanol;propanoic acid?

The InChIKey is OGDQIQBBQZIDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO.C3H6O2/c1-3(5)4-2;1-2-3(4)5/h3-5H,1-2H3;2H2,1H3,(H,4,5).

What are the key properties of 1-(methylamino)ethanol;propanoic acid?

1-(methylamino)ethanol;propanoic acid has a molecular weight of 149.19 g/mol, XLogP of 0.03, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(methylamino)ethanol;propanoic acid is sourced from PubChem (CID 173051443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 173051443 — identifiers, structure, computed properties (public domain)

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