3-[(1-ethylpyrrolidin-3-yl)methoxy]propanoic acid

C10H19NO3 — CID 169177349

IUPAC3-[(1-ethylpyrrolidin-3-yl)methoxy]propanoic acid
SMILESCCN1CCC(COCCC(=O)O)C1
InChIInChI=1S/C10H19NO3/c1-2-11-5-3-9(7-11)8-14-6-4-10(12)13/h9H,2-8H2,1H3,(H,12,13)
InChIKeyOIJXPAVCZINCBV-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.82
Rot. Bonds6

About 3-[(1-ethylpyrrolidin-3-yl)methoxy]propanoic acid

3-[(1-ethylpyrrolidin-3-yl)methoxy]propanoic acid (PubChem CID 169177349) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-[(1-ethylpyrrolidin-3-yl)methoxy]propanoic acid.

Molecular Properties

Compound Name3-[(1-ethylpyrrolidin-3-yl)methoxy]propanoic acid
PubChem CID169177349
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name3-[(1-ethylpyrrolidin-3-yl)methoxy]propanoic acid
SMILESCCN1CCC(COCCC(=O)O)C1
InChIInChI=1S/C10H19NO3/c1-2-11-5-3-9(7-11)8-14-6-4-10(12)13/h9H,2-8H2,1H3,(H,12,13)
InChIKeyOIJXPAVCZINCBV-UHFFFAOYSA-N
XLogP0.82
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[(1-ethylpyrrolidin-3-yl)methoxy]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylpyrrolidin-3-yl)methoxy]propanoic acid?
The IUPAC name of 3-[(1-ethylpyrrolidin-3-yl)methoxy]propanoic acid (CID 169177349) is 3-[(1-ethylpyrrolidin-3-yl)methoxy]propanoic acid.
What is the SMILES notation for 3-[(1-ethylpyrrolidin-3-yl)methoxy]propanoic acid?
The canonical SMILES for 3-[(1-ethylpyrrolidin-3-yl)methoxy]propanoic acid is CCN1CCC(COCCC(=O)O)C1.
What is the InChIKey of 3-[(1-ethylpyrrolidin-3-yl)methoxy]propanoic acid?
The InChIKey is OIJXPAVCZINCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-2-11-5-3-9(7-11)8-14-6-4-10(12)13/h9H,2-8H2,1H3,(H,12,13).
What are the key properties of 3-[(1-ethylpyrrolidin-3-yl)methoxy]propanoic acid?
3-[(1-ethylpyrrolidin-3-yl)methoxy]propanoic acid has a molecular weight of 201.27 g/mol, XLogP of 0.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylpyrrolidin-3-yl)methoxy]propanoic acid is sourced from PubChem (CID 169177349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).