3-(3-benzylpyrrolidin-1-yl)propanoic acid

C14H19NO2 — CID 119138114

IUPAC3-(3-benzylpyrrolidin-1-yl)propanoic acid
SMILESO=C(O)CCN1CCC(Cc2ccccc2)C1
InChIInChI=1S/C14H19NO2/c16-14(17)7-9-15-8-6-13(11-15)10-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,16,17)
InChIKeyZOFSOYDRYXGPOW-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.03
Rot. Bonds5

About 3-(3-benzylpyrrolidin-1-yl)propanoic acid

3-(3-benzylpyrrolidin-1-yl)propanoic acid (PubChem CID 119138114) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-(3-benzylpyrrolidin-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(3-benzylpyrrolidin-1-yl)propanoic acid
PubChem CID119138114
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name3-(3-benzylpyrrolidin-1-yl)propanoic acid
SMILESO=C(O)CCN1CCC(Cc2ccccc2)C1
InChIInChI=1S/C14H19NO2/c16-14(17)7-9-15-8-6-13(11-15)10-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,16,17)
InChIKeyZOFSOYDRYXGPOW-UHFFFAOYSA-N
XLogP2.03
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]propanoic acid
CID 119136182
3-benzyl-1-octylpyrrolidine
CID 58576677
methyl 3-(4-benzylpiperidin-1-yl)propanoate
CID 43091070
3-(4-benzylpiperidin-1-yl)propanehydrazide
CID 63572694
3-[(3S)-3-phenylpyrrolidin-1-yl]propanoic acid
CID 94362410
2-[(3S)-3-benzylpyrrolidin-1-yl]-N-methylethanamine
CID 67739617
3-benzyl-1-(3,3,3-trifluoropropyl)pyrrolidine
CID 90103620
3-(3-benzylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one
CID 120981580
2-(4-benzylpiperidin-1-yl)ethylcarbamic acid
CID 166653471
1-[2-[(3S)-3-benzylpyrrolidin-1-yl]ethyl]pyrazole
CID 124607305
2-(4-benzylpiperidin-1-yl)acetamide
CID 6465422
3-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylpropan-1-one
CID 112571405

Frequently Asked Questions

What is the IUPAC name of 3-(3-benzylpyrrolidin-1-yl)propanoic acid?
The IUPAC name of 3-(3-benzylpyrrolidin-1-yl)propanoic acid (CID 119138114) is 3-(3-benzylpyrrolidin-1-yl)propanoic acid.
What is the SMILES notation for 3-(3-benzylpyrrolidin-1-yl)propanoic acid?
The canonical SMILES for 3-(3-benzylpyrrolidin-1-yl)propanoic acid is O=C(O)CCN1CCC(Cc2ccccc2)C1.
What is the InChIKey of 3-(3-benzylpyrrolidin-1-yl)propanoic acid?
The InChIKey is ZOFSOYDRYXGPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c16-14(17)7-9-15-8-6-13(11-15)10-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,16,17).
What are the key properties of 3-(3-benzylpyrrolidin-1-yl)propanoic acid?
3-(3-benzylpyrrolidin-1-yl)propanoic acid has a molecular weight of 233.31 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-benzylpyrrolidin-1-yl)propanoic acid is sourced from PubChem (CID 119138114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).