2-[2-[2-(2-acetylpyrrolidin-1-yl)-2-oxoethyl]phenyl]acetic acid

C16H19NO4 — CID 22888721

IUPAC2-[2-[2-(2-acetylpyrrolidin-1-yl)-2-oxoethyl]phenyl]acetic acid
SMILESCC(=O)C1CCCN1C(=O)Cc1ccccc1CC(=O)O
InChIInChI=1S/C16H19NO4/c1-11(18)14-7-4-8-17(14)15(19)9-12-5-2-3-6-13(12)10-16(20)21/h2-3,5-6,14H,4,7-10H2,1H3,(H,20,21)
InChIKeyZXUYYEGVYLFEQX-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.44
Rot. Bonds5

About 2-[2-[2-(2-acetylpyrrolidin-1-yl)-2-oxoethyl]phenyl]acetic acid

2-[2-[2-(2-acetylpyrrolidin-1-yl)-2-oxoethyl]phenyl]acetic acid (PubChem CID 22888721) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-[2-[2-(2-acetylpyrrolidin-1-yl)-2-oxoethyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[2-(2-acetylpyrrolidin-1-yl)-2-oxoethyl]phenyl]acetic acid
PubChem CID22888721
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name2-[2-[2-(2-acetylpyrrolidin-1-yl)-2-oxoethyl]phenyl]acetic acid
SMILESCC(=O)C1CCCN1C(=O)Cc1ccccc1CC(=O)O
InChIInChI=1S/C16H19NO4/c1-11(18)14-7-4-8-17(14)15(19)9-12-5-2-3-6-13(12)10-16(20)21/h2-3,5-6,14H,4,7-10H2,1H3,(H,20,21)
InChIKeyZXUYYEGVYLFEQX-UHFFFAOYSA-N
XLogP1.44
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-carbamoylpyrrolidin-1-yl)-2-oxoethyl]benzoic acid
CID 71692047
(2R)-1-[2-(2-propan-2-yloxyphenyl)acetyl]pyrrolidine-2-carboxylic acid
CID 119371810
2-[2-[(1-acetylpyrrolidine-2-carbonyl)amino]phenyl]acetic acid
CID 119353114
(2R)-1-[2-(2-methoxyphenyl)acetyl]piperidine-2-carboxylic acid
CID 79034352
1-(2-acetylpyrrolidin-1-yl)-2-aminoethanone;ethane
CID 166119423
1-(2-naphthalen-1-ylacetyl)piperidine-2-carboxylic acid
CID 43822910
(2S)-N-oxo-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 89035815
2-(2-chlorophenyl)-1-[(2S)-2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 94161042
2-(2-methylphenyl)-1-(2-methylpyrrolidin-1-yl)ethanone
CID 110728198
1-(2-cyclopentylpyrrolidin-1-yl)-2-(2-hydroxyphenyl)ethanone
CID 78916994
(2R)-1-[2-[2-(trifluoromethyl)phenyl]acetyl]pyrrolidine-2-carboxamide
CID 124606525
1-[(2S)-2-acetylpyrrolidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone
CID 163976262

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-acetylpyrrolidin-1-yl)-2-oxoethyl]phenyl]acetic acid?
The IUPAC name of 2-[2-[2-(2-acetylpyrrolidin-1-yl)-2-oxoethyl]phenyl]acetic acid (CID 22888721) is 2-[2-[2-(2-acetylpyrrolidin-1-yl)-2-oxoethyl]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[2-(2-acetylpyrrolidin-1-yl)-2-oxoethyl]phenyl]acetic acid?
The canonical SMILES for 2-[2-[2-(2-acetylpyrrolidin-1-yl)-2-oxoethyl]phenyl]acetic acid is CC(=O)C1CCCN1C(=O)Cc1ccccc1CC(=O)O.
What is the InChIKey of 2-[2-[2-(2-acetylpyrrolidin-1-yl)-2-oxoethyl]phenyl]acetic acid?
The InChIKey is ZXUYYEGVYLFEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-11(18)14-7-4-8-17(14)15(19)9-12-5-2-3-6-13(12)10-16(20)21/h2-3,5-6,14H,4,7-10H2,1H3,(H,20,21).
What are the key properties of 2-[2-[2-(2-acetylpyrrolidin-1-yl)-2-oxoethyl]phenyl]acetic acid?
2-[2-[2-(2-acetylpyrrolidin-1-yl)-2-oxoethyl]phenyl]acetic acid has a molecular weight of 289.33 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-acetylpyrrolidin-1-yl)-2-oxoethyl]phenyl]acetic acid is sourced from PubChem (CID 22888721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).