2-[1-[1-(4-methoxyphenyl)propyl]pyrrolidin-2-yl]acetic acid

C16H23NO3 — CID 65068370

IUPAC2-[1-[1-(4-methoxyphenyl)propyl]pyrrolidin-2-yl]acetic acid
SMILESCCC(c1ccc(OC)cc1)N1CCCC1CC(=O)O
InChIInChI=1S/C16H23NO3/c1-3-15(12-6-8-14(20-2)9-7-12)17-10-4-5-13(17)11-16(18)19/h6-9,13,15H,3-5,10-11H2,1-2H3,(H,18,19)
InChIKeyWQOGBRWGMDRVFL-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.09
Rot. Bonds6

About 2-[1-[1-(4-methoxyphenyl)propyl]pyrrolidin-2-yl]acetic acid

2-[1-[1-(4-methoxyphenyl)propyl]pyrrolidin-2-yl]acetic acid (PubChem CID 65068370) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-[1-[1-(4-methoxyphenyl)propyl]pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[1-(4-methoxyphenyl)propyl]pyrrolidin-2-yl]acetic acid
PubChem CID65068370
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-[1-[1-(4-methoxyphenyl)propyl]pyrrolidin-2-yl]acetic acid
SMILESCCC(c1ccc(OC)cc1)N1CCCC1CC(=O)O
InChIInChI=1S/C16H23NO3/c1-3-15(12-6-8-14(20-2)9-7-12)17-10-4-5-13(17)11-16(18)19/h6-9,13,15H,3-5,10-11H2,1-2H3,(H,18,19)
InChIKeyWQOGBRWGMDRVFL-UHFFFAOYSA-N
XLogP3.09
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[1-(4-chlorophenyl)propyl]pyrrolidin-2-yl]acetic acid
CID 65068211
2-[1-(2-methoxy-1-phenylethyl)piperidin-2-yl]acetic acid
CID 103466206
2-[1-[1-(4-ethoxyphenyl)ethyl]piperidin-2-yl]acetic acid
CID 65062930
2-[1-[1-(4-ethylphenyl)ethyl]pyrrolidin-2-yl]acetic acid
CID 65067851
1-[1-(4-methoxyphenyl)propyl]-2-methylpiperidin-4-amine
CID 115311931
[1-(1-phenylpropyl)pyrrolidin-2-yl]methanamine
CID 115311606
1-[1-(4-methoxyphenyl)propyl]-4-methylpiperidine-4-carboxylic acid
CID 65065150
3-(2-ethylpyrrolidin-1-yl)-3-phenylpropanoic acid
CID 63075093
2-[4-[1-(4-methoxyphenyl)ethyl]thiomorpholin-3-yl]acetic acid
CID 66421382
[1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]methanamine
CID 113284170
2-[1-(1-methoxybutan-2-yl)piperidin-2-yl]acetic acid
CID 65063547
2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]acetic acid
CID 61369953

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(4-methoxyphenyl)propyl]pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[1-(4-methoxyphenyl)propyl]pyrrolidin-2-yl]acetic acid (CID 65068370) is 2-[1-[1-(4-methoxyphenyl)propyl]pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[1-(4-methoxyphenyl)propyl]pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[1-(4-methoxyphenyl)propyl]pyrrolidin-2-yl]acetic acid is CCC(c1ccc(OC)cc1)N1CCCC1CC(=O)O.
What is the InChIKey of 2-[1-[1-(4-methoxyphenyl)propyl]pyrrolidin-2-yl]acetic acid?
The InChIKey is WQOGBRWGMDRVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-3-15(12-6-8-14(20-2)9-7-12)17-10-4-5-13(17)11-16(18)19/h6-9,13,15H,3-5,10-11H2,1-2H3,(H,18,19).
What are the key properties of 2-[1-[1-(4-methoxyphenyl)propyl]pyrrolidin-2-yl]acetic acid?
2-[1-[1-(4-methoxyphenyl)propyl]pyrrolidin-2-yl]acetic acid has a molecular weight of 277.36 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(4-methoxyphenyl)propyl]pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 65068370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).