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

C21H25NO2 — CID 78324474

IUPAC2-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]acetic acid
SMILESC[C@@H]1CCCN1CCc1ccc(-c2ccc(CC(=O)O)cc2)cc1
InChIInChI=1S/C21H25NO2/c1-16-3-2-13-22(16)14-12-17-4-8-19(9-5-17)20-10-6-18(7-11-20)15-21(23)24/h4-11,16H,2-3,12-15H2,1H3,(H,23,24)/t16-/m1/s1
InChIKeySNFVJSHMYSEFRX-MRXNPFEDSA-N
MW323.44 g/mol
LogP4.01
Rot. Bonds6

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

2-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]acetic acid (PubChem CID 78324474) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]acetic acid
PubChem CID78324474
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name2-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]acetic acid
SMILESC[C@@H]1CCCN1CCc1ccc(-c2ccc(CC(=O)O)cc2)cc1
InChIInChI=1S/C21H25NO2/c1-16-3-2-13-22(16)14-12-17-4-8-19(9-5-17)20-10-6-18(7-11-20)15-21(23)24/h4-11,16H,2-3,12-15H2,1H3,(H,23,24)/t16-/m1/s1
InChIKeySNFVJSHMYSEFRX-MRXNPFEDSA-N
XLogP4.01
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]acetic acid (CID 78324474) is 2-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]acetic acid is C[C@@H]1CCCN1CCc1ccc(-c2ccc(CC(=O)O)cc2)cc1.
What is the InChIKey of 2-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]acetic acid?
The InChIKey is SNFVJSHMYSEFRX-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H25NO2/c1-16-3-2-13-22(16)14-12-17-4-8-19(9-5-17)20-10-6-18(7-11-20)15-21(23)24/h4-11,16H,2-3,12-15H2,1H3,(H,23,24)/t16-/m1/s1.
What are the key properties of 2-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]acetic acid?
2-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]acetic acid has a molecular weight of 323.44 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]acetic acid is sourced from PubChem (CID 78324474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).