3-[3-(4-chlorophenyl)pyrrolidin-1-yl]propanoic acid;hydrochloride

C13H17Cl2NO2 — CID 67933065

IUPAC3-[3-(4-chlorophenyl)pyrrolidin-1-yl]propanoic acid;hydrochloride
SMILESCl.O=C(O)CCN1CCC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C13H16ClNO2.ClH/c14-12-3-1-10(2-4-12)11-5-7-15(9-11)8-6-13(16)17;/h1-4,11H,5-9H2,(H,16,17);1H
InChIKeyHCBIUKXFVGYKKI-UHFFFAOYSA-N
MW290.19 g/mol
LogP3.03
Rot. Bonds4

About 3-[3-(4-chlorophenyl)pyrrolidin-1-yl]propanoic acid;hydrochloride

3-[3-(4-chlorophenyl)pyrrolidin-1-yl]propanoic acid;hydrochloride (PubChem CID 67933065) has the molecular formula C13H17Cl2NO2 and a molecular weight of 290.19 g/mol. Its IUPAC name is 3-[3-(4-chlorophenyl)pyrrolidin-1-yl]propanoic acid;hydrochloride.

Molecular Properties

Compound Name3-[3-(4-chlorophenyl)pyrrolidin-1-yl]propanoic acid;hydrochloride
PubChem CID67933065
Molecular FormulaC13H17Cl2NO2
Molecular Weight290.19 g/mol
Exact Mass289.06
IUPAC Name3-[3-(4-chlorophenyl)pyrrolidin-1-yl]propanoic acid;hydrochloride
SMILESCl.O=C(O)CCN1CCC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C13H16ClNO2.ClH/c14-12-3-1-10(2-4-12)11-5-7-15(9-11)8-6-13(16)17;/h1-4,11H,5-9H2,(H,16,17);1H
InChIKeyHCBIUKXFVGYKKI-UHFFFAOYSA-N
XLogP3.03
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[3-(4-chlorophenyl)pyrrolidin-1-yl]propanoic acid;hydrochloride 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-[3-(4-chlorophenyl)pyrrolidin-1-yl]propanoic acid;hydrochloride?
The IUPAC name of 3-[3-(4-chlorophenyl)pyrrolidin-1-yl]propanoic acid;hydrochloride (CID 67933065) is 3-[3-(4-chlorophenyl)pyrrolidin-1-yl]propanoic acid;hydrochloride.
What is the SMILES notation for 3-[3-(4-chlorophenyl)pyrrolidin-1-yl]propanoic acid;hydrochloride?
The canonical SMILES for 3-[3-(4-chlorophenyl)pyrrolidin-1-yl]propanoic acid;hydrochloride is Cl.O=C(O)CCN1CCC(c2ccc(Cl)cc2)C1.
What is the InChIKey of 3-[3-(4-chlorophenyl)pyrrolidin-1-yl]propanoic acid;hydrochloride?
The InChIKey is HCBIUKXFVGYKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2.ClH/c14-12-3-1-10(2-4-12)11-5-7-15(9-11)8-6-13(16)17;/h1-4,11H,5-9H2,(H,16,17);1H.
What are the key properties of 3-[3-(4-chlorophenyl)pyrrolidin-1-yl]propanoic acid;hydrochloride?
3-[3-(4-chlorophenyl)pyrrolidin-1-yl]propanoic acid;hydrochloride has a molecular weight of 290.19 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-chlorophenyl)pyrrolidin-1-yl]propanoic acid;hydrochloride is sourced from PubChem (CID 67933065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).