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

C23H29NO2 — CID 78324788

IUPAC2-methyl-2-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]propanoic acid
SMILESC[C@@H]1CCCN1CCc1ccc(-c2ccc(C(C)(C)C(=O)O)cc2)cc1
InChIInChI=1S/C23H29NO2/c1-17-5-4-15-24(17)16-14-18-6-8-19(9-7-18)20-10-12-21(13-11-20)23(2,3)22(25)26/h6-13,17H,4-5,14-16H2,1-3H3,(H,25,26)/t17-/m1/s1
InChIKeyPAKUIJPXTOTTNJ-QGZVFWFLSA-N
MW351.49 g/mol
LogP4.74
Rot. Bonds6

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

2-methyl-2-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]propanoic acid (PubChem CID 78324788) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is 2-methyl-2-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]propanoic acid
PubChem CID78324788
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC Name2-methyl-2-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]propanoic acid
SMILESC[C@@H]1CCCN1CCc1ccc(-c2ccc(C(C)(C)C(=O)O)cc2)cc1
InChIInChI=1S/C23H29NO2/c1-17-5-4-15-24(17)16-14-18-6-8-19(9-7-18)20-10-12-21(13-11-20)23(2,3)22(25)26/h6-13,17H,4-5,14-16H2,1-3H3,(H,25,26)/t17-/m1/s1
InChIKeyPAKUIJPXTOTTNJ-QGZVFWFLSA-N
XLogP4.74
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]propanoic acid?
The IUPAC name of 2-methyl-2-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]propanoic acid (CID 78324788) is 2-methyl-2-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]propanoic acid?
The canonical SMILES for 2-methyl-2-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]propanoic acid is C[C@@H]1CCCN1CCc1ccc(-c2ccc(C(C)(C)C(=O)O)cc2)cc1.
What is the InChIKey of 2-methyl-2-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]propanoic acid?
The InChIKey is PAKUIJPXTOTTNJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H29NO2/c1-17-5-4-15-24(17)16-14-18-6-8-19(9-7-18)20-10-12-21(13-11-20)23(2,3)22(25)26/h6-13,17H,4-5,14-16H2,1-3H3,(H,25,26)/t17-/m1/s1.
What are the key properties of 2-methyl-2-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]propanoic acid?
2-methyl-2-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]propanoic acid has a molecular weight of 351.49 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]propanoic acid is sourced from PubChem (CID 78324788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).