2-[1-(2-phenylpropyl)pyrrolidin-2-yl]acetic acid

C15H21NO2 — CID 65067815

IUPAC2-[1-(2-phenylpropyl)pyrrolidin-2-yl]acetic acid
SMILESCC(CN1CCCC1CC(=O)O)c1ccccc1
InChIInChI=1S/C15H21NO2/c1-12(13-6-3-2-4-7-13)11-16-9-5-8-14(16)10-15(17)18/h2-4,6-7,12,14H,5,8-11H2,1H3,(H,17,18)
InChIKeyUEMNPAQFYOYOQY-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.73
Rot. Bonds5

About 2-[1-(2-phenylpropyl)pyrrolidin-2-yl]acetic acid

2-[1-(2-phenylpropyl)pyrrolidin-2-yl]acetic acid (PubChem CID 65067815) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[1-(2-phenylpropyl)pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-phenylpropyl)pyrrolidin-2-yl]acetic acid
PubChem CID65067815
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-[1-(2-phenylpropyl)pyrrolidin-2-yl]acetic acid
SMILESCC(CN1CCCC1CC(=O)O)c1ccccc1
InChIInChI=1S/C15H21NO2/c1-12(13-6-3-2-4-7-13)11-16-9-5-8-14(16)10-15(17)18/h2-4,6-7,12,14H,5,8-11H2,1H3,(H,17,18)
InChIKeyUEMNPAQFYOYOQY-UHFFFAOYSA-N
XLogP2.73
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-hydroxy-2-phenylethyl)pyrrolidin-2-yl]acetic acid
CID 61372497
3-[1-(2-phenylpropyl)piperidin-2-yl]propanoic acid
CID 65062535
2-[1-(1-phenylethylcarbamoyl)pyrrolidin-2-yl]acetic acid
CID 61370169
2-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidin-2-yl]acetic acid
CID 81133466
2-[1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-2-yl]acetic acid
CID 61370725
3-amino-N-[[1-(2-phenylpropyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120910963
2-[1-(3-amino-2-methyl-3-phenylpropanoyl)pyrrolidin-2-yl]acetic acid
CID 80549892
[1-(2,2-diphenylethyl)pyrrolidin-2-yl]methanamine
CID 107292865
[3-[1-[2-(cyclohexylmethyl)pyrrolidin-1-yl]propan-2-yl]phenyl]-phenylmethanol
CID 13409093
2-[1-(2-hydroxy-2-phenylpropyl)piperidin-2-yl]acetic acid
CID 62373379
1-[2-(4-fluorophenyl)propyl]pyrrolidine-2-carboxylic acid
CID 122036591
2-[1-[1-(3-hydroxyphenyl)ethyl]pyrrolidin-2-yl]acetic acid
CID 65068061

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-phenylpropyl)pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(2-phenylpropyl)pyrrolidin-2-yl]acetic acid (CID 65067815) is 2-[1-(2-phenylpropyl)pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-phenylpropyl)pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(2-phenylpropyl)pyrrolidin-2-yl]acetic acid is CC(CN1CCCC1CC(=O)O)c1ccccc1.
What is the InChIKey of 2-[1-(2-phenylpropyl)pyrrolidin-2-yl]acetic acid?
The InChIKey is UEMNPAQFYOYOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-12(13-6-3-2-4-7-13)11-16-9-5-8-14(16)10-15(17)18/h2-4,6-7,12,14H,5,8-11H2,1H3,(H,17,18).
What are the key properties of 2-[1-(2-phenylpropyl)pyrrolidin-2-yl]acetic acid?
2-[1-(2-phenylpropyl)pyrrolidin-2-yl]acetic acid has a molecular weight of 247.34 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-phenylpropyl)pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 65067815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).