3-pyrrolidin-1-ylpropanoic acid

C7H13NO2 — CID 558407

IUPAC3-pyrrolidin-1-ylpropanoic acid
SMILESO=C(O)CCN1CCCC1
InChIInChI=1S/C7H13NO2/c9-7(10)3-6-8-4-1-2-5-8/h1-6H2,(H,9,10)
InChIKeyBRSKDXVJFXXUKX-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.56
Rot. Bonds3

About 3-pyrrolidin-1-ylpropanoic acid

3-pyrrolidin-1-ylpropanoic acid (PubChem CID 558407) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 3-pyrrolidin-1-ylpropanoic acid.

Molecular Properties

Compound Name3-pyrrolidin-1-ylpropanoic acid
PubChem CID558407
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name3-pyrrolidin-1-ylpropanoic acid
SMILESO=C(O)CCN1CCCC1
InChIInChI=1S/C7H13NO2/c9-7(10)3-6-8-4-1-2-5-8/h1-6H2,(H,9,10)
InChIKeyBRSKDXVJFXXUKX-UHFFFAOYSA-N
XLogP0.56
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-pyrrolidin-1-ylpropanoic 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-pyrrolidin-1-ylpropanoic acid?
The IUPAC name of 3-pyrrolidin-1-ylpropanoic acid (CID 558407) is 3-pyrrolidin-1-ylpropanoic acid.
What is the SMILES notation for 3-pyrrolidin-1-ylpropanoic acid?
The canonical SMILES for 3-pyrrolidin-1-ylpropanoic acid is O=C(O)CCN1CCCC1.
What is the InChIKey of 3-pyrrolidin-1-ylpropanoic acid?
The InChIKey is BRSKDXVJFXXUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c9-7(10)3-6-8-4-1-2-5-8/h1-6H2,(H,9,10).
What are the key properties of 3-pyrrolidin-1-ylpropanoic acid?
3-pyrrolidin-1-ylpropanoic acid has a molecular weight of 143.19 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-1-ylpropanoic acid is sourced from PubChem (CID 558407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).