2-[(3S)-3-[2-(3-acetylphenyl)-4-pyridinyl]pyrrolidin-1-yl]acetic acid

C19H20N2O3 — CID 95135293

IUPAC2-[(3S)-3-[2-(3-acetylphenyl)-4-pyridinyl]pyrrolidin-1-yl]acetic acid
SMILESCC(=O)c1cccc(-c2cc([C@@H]3CCN(CC(=O)O)C3)ccn2)c1
InChIInChI=1S/C19H20N2O3/c1-13(22)14-3-2-4-16(9-14)18-10-15(5-7-20-18)17-6-8-21(11-17)12-19(23)24/h2-5,7,9-10,17H,6,8,11-12H2,1H3,(H,23,24)/t17-/m1/s1
InChIKeyWKNUGJHWYBZRBV-QGZVFWFLSA-N
MW324.38 g/mol
LogP2.83
Rot. Bonds5

About 2-[(3S)-3-[2-(3-acetylphenyl)-4-pyridinyl]pyrrolidin-1-yl]acetic acid

2-[(3S)-3-[2-(3-acetylphenyl)-4-pyridinyl]pyrrolidin-1-yl]acetic acid (PubChem CID 95135293) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-[(3S)-3-[2-(3-acetylphenyl)-4-pyridinyl]pyrrolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(3S)-3-[2-(3-acetylphenyl)-4-pyridinyl]pyrrolidin-1-yl]acetic acid
PubChem CID95135293
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name2-[(3S)-3-[2-(3-acetylphenyl)-4-pyridinyl]pyrrolidin-1-yl]acetic acid
SMILESCC(=O)c1cccc(-c2cc([C@@H]3CCN(CC(=O)O)C3)ccn2)c1
InChIInChI=1S/C19H20N2O3/c1-13(22)14-3-2-4-16(9-14)18-10-15(5-7-20-18)17-6-8-21(11-17)12-19(23)24/h2-5,7,9-10,17H,6,8,11-12H2,1H3,(H,23,24)/t17-/m1/s1
InChIKeyWKNUGJHWYBZRBV-QGZVFWFLSA-N
XLogP2.83
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[4-[1-(pyrimidin-5-ylmethyl)pyrrolidin-3-yl]-2-pyridinyl]phenyl]ethanone
CID 50963042
2-[(3R)-3-[2-[4-(trifluoromethyl)phenyl]-4-pyridinyl]pyrrolidin-1-yl]acetic acid
CID 95122056
2-[[(3S)-3-[2-(3-methoxyphenyl)-4-pyridinyl]pyrrolidin-1-yl]methyl]benzoic acid
CID 95125885
3-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-2-pyridinyl]benzoic acid
CID 175660564
3-[4-[1-[3-(dimethylamino)-2,2-dimethylpropyl]pyrrolidin-3-yl]-2-pyridinyl]phenol
CID 50975781
2-(3-acetylphenyl)-N-(1-benzylpiperidin-4-yl)pyridine-4-carboxamide
CID 117092468
3-[4-[(3R)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-2-pyridinyl]phenol
CID 95127637
[5-[[3-(2-pyridin-3-yl-4-pyridinyl)pyrrolidin-1-yl]methyl]furan-2-yl]methanol
CID 50963081
3-[4-[(3S)-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]-2-pyridinyl]phenol
CID 95147375
2-[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]acetic acid
CID 124954393
2-[4-(3-methoxyphenyl)piperidin-1-yl]acetic acid
CID 18184335
4-(3-acetylphenyl)pyridine-2-carboxylic acid
CID 53223096

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-[2-(3-acetylphenyl)-4-pyridinyl]pyrrolidin-1-yl]acetic acid?
The IUPAC name of 2-[(3S)-3-[2-(3-acetylphenyl)-4-pyridinyl]pyrrolidin-1-yl]acetic acid (CID 95135293) is 2-[(3S)-3-[2-(3-acetylphenyl)-4-pyridinyl]pyrrolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[(3S)-3-[2-(3-acetylphenyl)-4-pyridinyl]pyrrolidin-1-yl]acetic acid?
The canonical SMILES for 2-[(3S)-3-[2-(3-acetylphenyl)-4-pyridinyl]pyrrolidin-1-yl]acetic acid is CC(=O)c1cccc(-c2cc([C@@H]3CCN(CC(=O)O)C3)ccn2)c1.
What is the InChIKey of 2-[(3S)-3-[2-(3-acetylphenyl)-4-pyridinyl]pyrrolidin-1-yl]acetic acid?
The InChIKey is WKNUGJHWYBZRBV-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-13(22)14-3-2-4-16(9-14)18-10-15(5-7-20-18)17-6-8-21(11-17)12-19(23)24/h2-5,7,9-10,17H,6,8,11-12H2,1H3,(H,23,24)/t17-/m1/s1.
What are the key properties of 2-[(3S)-3-[2-(3-acetylphenyl)-4-pyridinyl]pyrrolidin-1-yl]acetic acid?
2-[(3S)-3-[2-(3-acetylphenyl)-4-pyridinyl]pyrrolidin-1-yl]acetic acid has a molecular weight of 324.38 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-[2-(3-acetylphenyl)-4-pyridinyl]pyrrolidin-1-yl]acetic acid is sourced from PubChem (CID 95135293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).