4-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]butanoic acid

C23H29NO2 — CID 78321360

IUPAC4-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]butanoic acid
SMILESC[C@@H]1CCCN1CCc1ccc(-c2ccc(CCCC(=O)O)cc2)cc1
InChIInChI=1S/C23H29NO2/c1-18-4-3-16-24(18)17-15-20-9-13-22(14-10-20)21-11-7-19(8-12-21)5-2-6-23(25)26/h7-14,18H,2-6,15-17H2,1H3,(H,25,26)/t18-/m1/s1
InChIKeyNWARXTXDBNSWOA-GOSISDBHSA-N
MW351.49 g/mol
LogP4.79
Rot. Bonds8

About 4-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]butanoic acid

4-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]butanoic acid (PubChem CID 78321360) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is 4-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]butanoic acid.

Molecular Properties

Compound Name4-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]butanoic acid
PubChem CID78321360
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC Name4-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]butanoic acid
SMILESC[C@@H]1CCCN1CCc1ccc(-c2ccc(CCCC(=O)O)cc2)cc1
InChIInChI=1S/C23H29NO2/c1-18-4-3-16-24(18)17-15-20-9-13-22(14-10-20)21-11-7-19(8-12-21)5-2-6-23(25)26/h7-14,18H,2-6,15-17H2,1H3,(H,25,26)/t18-/m1/s1
InChIKeyNWARXTXDBNSWOA-GOSISDBHSA-N
XLogP4.79
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]butanoic acid with MolForge

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Related Compounds

2-[(4-tert-Butylphenyl)methyl]-3-piperidin-1-ylpropanoic acid
CID 139597728
Preussin G
CID 145971659
(S)-2-(1-(4,4-diphenylbut-3-enyl)pyrrolidin-2-yl)acetic acid
CID 9949599
3-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2,2-diphenylpropanoic acid
CID 44233189
(R)-3-(4'-(2-(2-methylpyrrolidin-1-yl)ethyl)biphenyl-4-yl)propanoic acid
CID 76286162
(R)-Methyl 1-(4'-(2-(2-Methylpyrrolidin-1-yl)ethyl)biphenyl-4-yl)cyclopentanecarboxylate
CID 78320398
2-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]acetic acid
CID 78324474
(R)-Methyl 3-(4'-(2-(2-Methylpyrrolidin-1-yl)ethyl)biphenyl-4-yl)propanoate
CID 78324787
(R)-2-Methyl-2-(4'-(2-(2-methylpyrrolidin-1-yl)ethyl)biphenyl-4-yl)propanoic Acid
CID 78324788
(R)-Ethyl 3-(4'-(2-(2-Methylpyrrolidin-1-yl)ethyl)biphenyl-4-yl)propanoate
CID 78324789
4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]benzoic acid
CID 90281088
4-(Dimethylamino)-2,2-diphenylpentanoic acid
CID 219704

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]butanoic acid?
The IUPAC name of 4-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]butanoic acid (CID 78321360) is 4-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]butanoic acid.
What is the SMILES notation for 4-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]butanoic acid?
The canonical SMILES for 4-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]butanoic acid is C[C@@H]1CCCN1CCc1ccc(-c2ccc(CCCC(=O)O)cc2)cc1.
What is the InChIKey of 4-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]butanoic acid?
The InChIKey is NWARXTXDBNSWOA-GOSISDBHSA-N. The full InChI is InChI=1S/C23H29NO2/c1-18-4-3-16-24(18)17-15-20-9-13-22(14-10-20)21-11-7-19(8-12-21)5-2-6-23(25)26/h7-14,18H,2-6,15-17H2,1H3,(H,25,26)/t18-/m1/s1.
What are the key properties of 4-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]butanoic acid?
4-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]butanoic acid has a molecular weight of 351.49 g/mol, XLogP of 4.79, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]butanoic acid is sourced from PubChem (CID 78321360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).