2-phenyl-2-pyrrolidin-1-ylbutanoic acid

C14H19NO2 — CID 43803457

IUPAC2-phenyl-2-pyrrolidin-1-ylbutanoic acid
SMILESCCC(C(=O)O)(c1ccccc1)N1CCCC1
InChIInChI=1S/C14H19NO2/c1-2-14(13(16)17,15-10-6-7-11-15)12-8-4-3-5-9-12/h3-5,8-9H,2,6-7,10-11H2,1H3,(H,16,17)
InChIKeyZMZUYEXHOHVQAJ-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.47
Rot. Bonds4

About 2-phenyl-2-pyrrolidin-1-ylbutanoic acid

2-phenyl-2-pyrrolidin-1-ylbutanoic acid (PubChem CID 43803457) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-phenyl-2-pyrrolidin-1-ylbutanoic acid.

Molecular Properties

Compound Name2-phenyl-2-pyrrolidin-1-ylbutanoic acid
PubChem CID43803457
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-phenyl-2-pyrrolidin-1-ylbutanoic acid
SMILESCCC(C(=O)O)(c1ccccc1)N1CCCC1
InChIInChI=1S/C14H19NO2/c1-2-14(13(16)17,15-10-6-7-11-15)12-8-4-3-5-9-12/h3-5,8-9H,2,6-7,10-11H2,1H3,(H,16,17)
InChIKeyZMZUYEXHOHVQAJ-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(azepan-1-yl)-2-(4-ethylphenyl)butanoic acid
CID 61058194
4-methyl-2-phenyl-2-piperidin-1-ylpentanoic acid
CID 43803766
2-(2-methylpyrrolidin-1-yl)-2-phenylbutanoic acid
CID 114989653
2-phenyl-2-piperidin-1-ylpropanoic acid
CID 43803809
(2R)-3-(1-azabicyclo[2.2.2]octan-3-yl)-2-phenyl-2-piperidin-1-ylpropanoic acid
CID 67285819
2-ethyl-1-phenyl-2-pyrrolidin-1-ylbutan-1-one
CID 79067649
2-(2-methylimidazol-1-yl)-2-phenylbutanoic acid
CID 114994251
2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-pyridin-3-ylbutanoic acid
CID 68768738
2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-2-phenylbutanoic acid
CID 168661645
ethyl 3,3-diphenyl-3-piperidin-1-ylpropanoate
CID 10172125
methyl 2,2-diphenyl-2-pyrrolidin-1-ylacetate
CID 90989848
2-(azocan-1-yl)-2-ethylbutanoic acid
CID 82238451

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-pyrrolidin-1-ylbutanoic acid?
The IUPAC name of 2-phenyl-2-pyrrolidin-1-ylbutanoic acid (CID 43803457) is 2-phenyl-2-pyrrolidin-1-ylbutanoic acid.
What is the SMILES notation for 2-phenyl-2-pyrrolidin-1-ylbutanoic acid?
The canonical SMILES for 2-phenyl-2-pyrrolidin-1-ylbutanoic acid is CCC(C(=O)O)(c1ccccc1)N1CCCC1.
What is the InChIKey of 2-phenyl-2-pyrrolidin-1-ylbutanoic acid?
The InChIKey is ZMZUYEXHOHVQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-2-14(13(16)17,15-10-6-7-11-15)12-8-4-3-5-9-12/h3-5,8-9H,2,6-7,10-11H2,1H3,(H,16,17).
What are the key properties of 2-phenyl-2-pyrrolidin-1-ylbutanoic acid?
2-phenyl-2-pyrrolidin-1-ylbutanoic acid has a molecular weight of 233.31 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-pyrrolidin-1-ylbutanoic acid is sourced from PubChem (CID 43803457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).