2-(3-phenylpyrrolidin-1-yl)butanoic acid

C14H19NO2 — CID 55039477

IUPAC2-(3-phenylpyrrolidin-1-yl)butanoic acid
SMILESCCC(C(=O)O)N1CCC(c2ccccc2)C1
InChIInChI=1S/C14H19NO2/c1-2-13(14(16)17)15-9-8-12(10-15)11-6-4-3-5-7-11/h3-7,12-13H,2,8-10H2,1H3,(H,16,17)
InChIKeyQIODVIUOPVKGGK-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.34
Rot. Bonds4

About 2-(3-phenylpyrrolidin-1-yl)butanoic acid

2-(3-phenylpyrrolidin-1-yl)butanoic acid (PubChem CID 55039477) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(3-phenylpyrrolidin-1-yl)butanoic acid.

Molecular Properties

Compound Name2-(3-phenylpyrrolidin-1-yl)butanoic acid
PubChem CID55039477
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-(3-phenylpyrrolidin-1-yl)butanoic acid
SMILESCCC(C(=O)O)N1CCC(c2ccccc2)C1
InChIInChI=1S/C14H19NO2/c1-2-13(14(16)17)15-9-8-12(10-15)11-6-4-3-5-7-11/h3-7,12-13H,2,8-10H2,1H3,(H,16,17)
InChIKeyQIODVIUOPVKGGK-UHFFFAOYSA-N
XLogP2.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (2S)-2-[(3R)-3-phenylpyrrolidin-1-yl]butanoate
CID 52534456
4-amino-2-(3-phenylpyrrolidin-1-yl)butanoic acid
CID 64693583
2-methyl-3-(3-phenylpyrrolidin-1-yl)butanoic acid
CID 79406550
ethyl 2-(3-phenylpyrrolidin-1-yl)propanoate
CID 62070395
2-[1-(3-phenylpyrrolidin-1-yl)propyl]phenol
CID 82957556
3-phenyl-1-propan-2-ylpyrrolidine
CID 3447557
(2R)-2-[(3R,4S)-3-ethyl-4-hydroxypiperidin-1-yl]butanoic acid
CID 129445747
3-cyclobutyl-2-(3-phenylpyrrolidin-1-yl)propanoic acid;1-(1-methylpiperidin-4-yl)-3-phenylpropan-1-ol
CID 142021357
1-methyl-4-phenylpiperidine;(2R)-2-phenyl-2-(3-phenylpyrrolidin-1-yl)acetic acid
CID 142020821
3-(3-phenylpyrrolidin-1-yl)butan-2-ol
CID 62133226
N-methyl-2-(3-phenylpyrrolidin-1-yl)pentan-3-amine
CID 62132289
(2S)-2-amino-1-(3-phenylpyrrolidin-1-yl)butan-1-one
CID 79023414

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylpyrrolidin-1-yl)butanoic acid?
The IUPAC name of 2-(3-phenylpyrrolidin-1-yl)butanoic acid (CID 55039477) is 2-(3-phenylpyrrolidin-1-yl)butanoic acid.
What is the SMILES notation for 2-(3-phenylpyrrolidin-1-yl)butanoic acid?
The canonical SMILES for 2-(3-phenylpyrrolidin-1-yl)butanoic acid is CCC(C(=O)O)N1CCC(c2ccccc2)C1.
What is the InChIKey of 2-(3-phenylpyrrolidin-1-yl)butanoic acid?
The InChIKey is QIODVIUOPVKGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-2-13(14(16)17)15-9-8-12(10-15)11-6-4-3-5-7-11/h3-7,12-13H,2,8-10H2,1H3,(H,16,17).
What are the key properties of 2-(3-phenylpyrrolidin-1-yl)butanoic acid?
2-(3-phenylpyrrolidin-1-yl)butanoic acid has a molecular weight of 233.31 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylpyrrolidin-1-yl)butanoic acid is sourced from PubChem (CID 55039477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).