2-[(2S)-1-[2-[(2-methylphenyl)methoxy]-4-pyridinyl]pyrrolidin-2-yl]acetic acid

C19H22N2O3 — CID 58218579

IUPAC2-[(2S)-1-[2-[(2-methylphenyl)methoxy]-4-pyridinyl]pyrrolidin-2-yl]acetic acid
SMILESCc1ccccc1COc1cc(N2CCC[C@H]2CC(=O)O)ccn1
InChIInChI=1S/C19H22N2O3/c1-14-5-2-3-6-15(14)13-24-18-11-17(8-9-20-18)21-10-4-7-16(21)12-19(22)23/h2-3,5-6,8-9,11,16H,4,7,10,12-13H2,1H3,(H,22,23)/t16-/m0/s1
InChIKeyDBZLRJXBOBBETA-INIZCTEOSA-N
MW326.40 g/mol
LogP3.41
Rot. Bonds6

About 2-[(2S)-1-[2-[(2-methylphenyl)methoxy]-4-pyridinyl]pyrrolidin-2-yl]acetic acid

2-[(2S)-1-[2-[(2-methylphenyl)methoxy]-4-pyridinyl]pyrrolidin-2-yl]acetic acid (PubChem CID 58218579) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-[(2S)-1-[2-[(2-methylphenyl)methoxy]-4-pyridinyl]pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2S)-1-[2-[(2-methylphenyl)methoxy]-4-pyridinyl]pyrrolidin-2-yl]acetic acid
PubChem CID58218579
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name2-[(2S)-1-[2-[(2-methylphenyl)methoxy]-4-pyridinyl]pyrrolidin-2-yl]acetic acid
SMILESCc1ccccc1COc1cc(N2CCC[C@H]2CC(=O)O)ccn1
InChIInChI=1S/C19H22N2O3/c1-14-5-2-3-6-15(14)13-24-18-11-17(8-9-20-18)21-10-4-7-16(21)12-19(22)23/h2-3,5-6,8-9,11,16H,4,7,10,12-13H2,1H3,(H,22,23)/t16-/m0/s1
InChIKeyDBZLRJXBOBBETA-INIZCTEOSA-N
XLogP3.41
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[4-(2-methylbenzoyl)phenyl]pyrrolidin-2-yl]acetic acid
CID 67085733
2-[1-(6-phenylmethoxy-2-pyridinyl)pyrrolidin-2-yl]acetic acid
CID 168942281
2-[1-[4-[(2-fluoro-5-methylphenyl)methoxy]phenyl]pyrrolidin-2-yl]acetic acid
CID 51347255
2-[1-(1,3-benzodioxol-5-yl)pyrrolidin-2-yl]acetic acid
CID 82383161
2-[(2R,4S)-4-fluoro-1-[4-[(2-methylphenyl)methoxy]phenyl]pyrrolidin-2-yl]acetic acid
CID 58218710
2-[1-[4-[[2-(trifluoromethoxy)phenyl]methoxy]phenyl]pyrrolidin-2-yl]acetic acid
CID 51347705
2-[1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-2-yl]acetic acid
CID 115354718
2-[(2R)-1-[4-(2-benzylphenoxy)phenyl]pyrrolidin-2-yl]acetic acid
CID 58218592
[1-[3-methyl-4-[(2-methylphenyl)methyl]phenyl]pyrrolidin-2-yl]methanol
CID 67085949
2-[1-(4-methylphenyl)piperidin-2-yl]acetic acid
CID 117027896
2-[(2S)-1-[4-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]pyrrolidin-2-yl]acetic acid
CID 67085416
2-[1-[4-[(2-methoxyphenyl)-(2-methylphenyl)methyl]phenyl]pyrrolidin-2-yl]acetic acid
CID 58218676

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-[2-[(2-methylphenyl)methoxy]-4-pyridinyl]pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[(2S)-1-[2-[(2-methylphenyl)methoxy]-4-pyridinyl]pyrrolidin-2-yl]acetic acid (CID 58218579) is 2-[(2S)-1-[2-[(2-methylphenyl)methoxy]-4-pyridinyl]pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2S)-1-[2-[(2-methylphenyl)methoxy]-4-pyridinyl]pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[(2S)-1-[2-[(2-methylphenyl)methoxy]-4-pyridinyl]pyrrolidin-2-yl]acetic acid is Cc1ccccc1COc1cc(N2CCC[C@H]2CC(=O)O)ccn1.
What is the InChIKey of 2-[(2S)-1-[2-[(2-methylphenyl)methoxy]-4-pyridinyl]pyrrolidin-2-yl]acetic acid?
The InChIKey is DBZLRJXBOBBETA-INIZCTEOSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-14-5-2-3-6-15(14)13-24-18-11-17(8-9-20-18)21-10-4-7-16(21)12-19(22)23/h2-3,5-6,8-9,11,16H,4,7,10,12-13H2,1H3,(H,22,23)/t16-/m0/s1.
What are the key properties of 2-[(2S)-1-[2-[(2-methylphenyl)methoxy]-4-pyridinyl]pyrrolidin-2-yl]acetic acid?
2-[(2S)-1-[2-[(2-methylphenyl)methoxy]-4-pyridinyl]pyrrolidin-2-yl]acetic acid has a molecular weight of 326.40 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-[2-[(2-methylphenyl)methoxy]-4-pyridinyl]pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 58218579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).