2-[3-(4-ethylphenyl)pyrrolidin-1-yl]-2-pyridin-3-ylacetic acid

C19H22N2O2 — CID 136552322

IUPAC2-[3-(4-ethylphenyl)pyrrolidin-1-yl]-2-pyridin-3-ylacetic acid
SMILESCCc1ccc(C2CCN(C(C(=O)O)c3cccnc3)C2)cc1
InChIInChI=1S/C19H22N2O2/c1-2-14-5-7-15(8-6-14)17-9-11-21(13-17)18(19(22)23)16-4-3-10-20-12-16/h3-8,10,12,17-18H,2,9,11,13H2,1H3,(H,22,23)
InChIKeyDUYODDQWAWFBFT-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.26
Rot. Bonds5

About 2-[3-(4-ethylphenyl)pyrrolidin-1-yl]-2-pyridin-3-ylacetic acid

2-[3-(4-ethylphenyl)pyrrolidin-1-yl]-2-pyridin-3-ylacetic acid (PubChem CID 136552322) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-[3-(4-ethylphenyl)pyrrolidin-1-yl]-2-pyridin-3-ylacetic acid.

Molecular Properties

Compound Name2-[3-(4-ethylphenyl)pyrrolidin-1-yl]-2-pyridin-3-ylacetic acid
PubChem CID136552322
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name2-[3-(4-ethylphenyl)pyrrolidin-1-yl]-2-pyridin-3-ylacetic acid
SMILESCCc1ccc(C2CCN(C(C(=O)O)c3cccnc3)C2)cc1
InChIInChI=1S/C19H22N2O2/c1-2-14-5-7-15(8-6-14)17-9-11-21(13-17)18(19(22)23)16-4-3-10-20-12-16/h3-8,10,12,17-18H,2,9,11,13H2,1H3,(H,22,23)
InChIKeyDUYODDQWAWFBFT-UHFFFAOYSA-N
XLogP3.26
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Isbogrel
CID 5284442
3-Phenyl-2-(1-pyrrolyl)propanoic acid
CID 3245144
(Z)-7-phenyl-7-pyridin-3-ylhept-6-enoic acid
CID 6537201
2-phenyl-2-(1H-pyrrol-1-yl)acetic acid
CID 2741447
(+/-)-threo-N-(3-Methylpyridine)methylphenidate
CID 52943482
Phenylpropanoic acid derivative, 33
CID 44263419
Phenylpropanoic acid derivative, 44
CID 44263422
Phenylpropanoic acid derivative, 60
CID 44263425
(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-[propyl(3-pyridyl)amino]-1-piperidyl]methyl]pyrrolidin-1-yl]acetic acid
CID 505879
2-Methyl-3-[4-(pyridin-3-ylmethyl)phenyl]propanoic acid;hydrochloride
CID 12882191
2,2-Dimethyl-7-phenyl-7-pyridin-3-yl-hept-6-enoic acid
CID 13417291
(E)-2,2-dimethyl-7-phenyl-7-(3-pyridyl)-6-heptenoic acid
CID 13417292

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-ethylphenyl)pyrrolidin-1-yl]-2-pyridin-3-ylacetic acid?
The IUPAC name of 2-[3-(4-ethylphenyl)pyrrolidin-1-yl]-2-pyridin-3-ylacetic acid (CID 136552322) is 2-[3-(4-ethylphenyl)pyrrolidin-1-yl]-2-pyridin-3-ylacetic acid.
What is the SMILES notation for 2-[3-(4-ethylphenyl)pyrrolidin-1-yl]-2-pyridin-3-ylacetic acid?
The canonical SMILES for 2-[3-(4-ethylphenyl)pyrrolidin-1-yl]-2-pyridin-3-ylacetic acid is CCc1ccc(C2CCN(C(C(=O)O)c3cccnc3)C2)cc1.
What is the InChIKey of 2-[3-(4-ethylphenyl)pyrrolidin-1-yl]-2-pyridin-3-ylacetic acid?
The InChIKey is DUYODDQWAWFBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-2-14-5-7-15(8-6-14)17-9-11-21(13-17)18(19(22)23)16-4-3-10-20-12-16/h3-8,10,12,17-18H,2,9,11,13H2,1H3,(H,22,23).
What are the key properties of 2-[3-(4-ethylphenyl)pyrrolidin-1-yl]-2-pyridin-3-ylacetic acid?
2-[3-(4-ethylphenyl)pyrrolidin-1-yl]-2-pyridin-3-ylacetic acid has a molecular weight of 310.40 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-ethylphenyl)pyrrolidin-1-yl]-2-pyridin-3-ylacetic acid is sourced from PubChem (CID 136552322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).