3-(methylaminomethoxy)propanoic acid

C5H11NO3 — CID 20779380

IUPAC3-(methylaminomethoxy)propanoic acid
SMILESCNCOCCC(=O)O
InChIInChI=1S/C5H11NO3/c1-6-4-9-3-2-5(7)8/h6H,2-4H2,1H3,(H,7,8)
InChIKeyODRSASSZDXUQDI-UHFFFAOYSA-N
MW133.15 g/mol
LogP-0.35
Rot. Bonds5

About 3-(methylaminomethoxy)propanoic acid

3-(methylaminomethoxy)propanoic acid (PubChem CID 20779380) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is 3-(methylaminomethoxy)propanoic acid.

Molecular Properties

Compound Name3-(methylaminomethoxy)propanoic acid
PubChem CID20779380
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC Name3-(methylaminomethoxy)propanoic acid
SMILESCNCOCCC(=O)O
InChIInChI=1S/C5H11NO3/c1-6-4-9-3-2-5(7)8/h6H,2-4H2,1H3,(H,7,8)
InChIKeyODRSASSZDXUQDI-UHFFFAOYSA-N
XLogP-0.35
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(methylaminomethoxy)propanoic acid?
The IUPAC name of 3-(methylaminomethoxy)propanoic acid (CID 20779380) is 3-(methylaminomethoxy)propanoic acid.
What is the SMILES notation for 3-(methylaminomethoxy)propanoic acid?
The canonical SMILES for 3-(methylaminomethoxy)propanoic acid is CNCOCCC(=O)O.
What is the InChIKey of 3-(methylaminomethoxy)propanoic acid?
The InChIKey is ODRSASSZDXUQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3/c1-6-4-9-3-2-5(7)8/h6H,2-4H2,1H3,(H,7,8).
What are the key properties of 3-(methylaminomethoxy)propanoic acid?
3-(methylaminomethoxy)propanoic acid has a molecular weight of 133.15 g/mol, XLogP of -0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylaminomethoxy)propanoic acid is sourced from PubChem (CID 20779380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).