2-(3-ethoxy-1-ethylpyrrolidin-3-yl)acetic acid

C10H19NO3 — CID 105453579

IUPAC2-(3-ethoxy-1-ethylpyrrolidin-3-yl)acetic acid
SMILESCCOC1(CC(=O)O)CCN(CC)C1
InChIInChI=1S/C10H19NO3/c1-3-11-6-5-10(8-11,14-4-2)7-9(12)13/h3-8H2,1-2H3,(H,12,13)
InChIKeyKJMCIJGCZVKNAZ-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.96
Rot. Bonds5

About 2-(3-ethoxy-1-ethylpyrrolidin-3-yl)acetic acid

2-(3-ethoxy-1-ethylpyrrolidin-3-yl)acetic acid (PubChem CID 105453579) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-(3-ethoxy-1-ethylpyrrolidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(3-ethoxy-1-ethylpyrrolidin-3-yl)acetic acid
PubChem CID105453579
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2-(3-ethoxy-1-ethylpyrrolidin-3-yl)acetic acid
SMILESCCOC1(CC(=O)O)CCN(CC)C1
InChIInChI=1S/C10H19NO3/c1-3-11-6-5-10(8-11,14-4-2)7-9(12)13/h3-8H2,1-2H3,(H,12,13)
InChIKeyKJMCIJGCZVKNAZ-UHFFFAOYSA-N
XLogP0.96
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-ethoxy-1-ethylpyrrolidin-3-yl)acetic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-(1-cyclopropyl-3-ethoxypyrrolidin-3-yl)acetic acid
CID 105466778
3-ethoxy-1-ethylpyrrolidine-3-carboxylic acid
CID 105442578
2-(3-ethoxyoxolan-3-yl)acetic acid
CID 105435742
2-(3-ethoxyoxan-3-yl)acetic acid
CID 105443019
2-[(3R)-3-ethoxy-3-(trifluoromethyl)pyrrolidin-1-yl]acetic acid
CID 129497203
2-[(3S)-3-ethoxy-3-(trifluoromethyl)pyrrolidin-1-yl]acetic acid
CID 129497204
1-ethyl-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984242
ethyl 2-(1-ethyl-4-hydroxypiperidin-4-yl)acetate
CID 62395927
2-(4-methoxy-1-propan-2-ylpiperidin-4-yl)acetic acid
CID 105468786
2-(1-methyl-4-propan-2-yloxypiperidin-4-yl)acetic acid
CID 115029203
3-(1-ethyl-4-hydroxypiperidin-4-yl)propanoic acid
CID 66323197
(3R)-1-ethyl-3-methylpiperidine-3-carboxylic acid
CID 26722586

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxy-1-ethylpyrrolidin-3-yl)acetic acid?
The IUPAC name of 2-(3-ethoxy-1-ethylpyrrolidin-3-yl)acetic acid (CID 105453579) is 2-(3-ethoxy-1-ethylpyrrolidin-3-yl)acetic acid.
What is the SMILES notation for 2-(3-ethoxy-1-ethylpyrrolidin-3-yl)acetic acid?
The canonical SMILES for 2-(3-ethoxy-1-ethylpyrrolidin-3-yl)acetic acid is CCOC1(CC(=O)O)CCN(CC)C1.
What is the InChIKey of 2-(3-ethoxy-1-ethylpyrrolidin-3-yl)acetic acid?
The InChIKey is KJMCIJGCZVKNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-3-11-6-5-10(8-11,14-4-2)7-9(12)13/h3-8H2,1-2H3,(H,12,13).
What are the key properties of 2-(3-ethoxy-1-ethylpyrrolidin-3-yl)acetic acid?
2-(3-ethoxy-1-ethylpyrrolidin-3-yl)acetic acid has a molecular weight of 201.27 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxy-1-ethylpyrrolidin-3-yl)acetic acid is sourced from PubChem (CID 105453579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).