phenyl 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate

C18H17NO4 — CID 27444483

IUPACphenyl 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate
SMILESO=C(COc1ccc(N2CCCC2=O)cc1)Oc1ccccc1
InChIInChI=1S/C18H17NO4/c20-17-7-4-12-19(17)14-8-10-15(11-9-14)22-13-18(21)23-16-5-2-1-3-6-16/h1-3,5-6,8-11H,4,7,12-13H2
InChIKeyGSDABEMKEVTOLV-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.80
Rot. Bonds5

About phenyl 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate

phenyl 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate (PubChem CID 27444483) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is phenyl 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate.

Molecular Properties

Compound Namephenyl 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate
PubChem CID27444483
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Namephenyl 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate
SMILESO=C(COc1ccc(N2CCCC2=O)cc1)Oc1ccccc1
InChIInChI=1S/C18H17NO4/c20-17-7-4-12-19(17)14-8-10-15(11-9-14)22-13-18(21)23-16-5-2-1-3-6-16/h1-3,5-6,8-11H,4,7,12-13H2
InChIKeyGSDABEMKEVTOLV-UHFFFAOYSA-N
XLogP2.80
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]-2-phenylacetic acid
CID 119372482
2-[4-(2-oxopyrrolidin-1-yl)phenoxy]-N-(3-phenoxyphenyl)acetamide
CID 55411979
[4-(2-oxopyrrolidin-1-yl)phenyl] 2-(2,6-dichlorophenyl)acetate
CID 35544576
4-[4-(2-oxopyrrolidin-1-yl)phenoxy]butanoic acid
CID 43351519
1-[4-[2-(4-propanoylphenoxy)acetyl]phenyl]pyrrolidin-2-one
CID 8650952
[2-oxo-2-(1-phenylbutylamino)ethyl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate
CID 55444121
[4-(2-oxopyrrolidin-1-yl)phenyl] 2-phenoxypyridine-3-carboxylate
CID 51110358
[2-(1-cyclopropylethylamino)-2-oxoethyl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate
CID 55442410
N-methyl-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]-N-[(2-phenylphenyl)methyl]acetamide
CID 60618275
N-(3-methylbutan-2-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 51228621
[4-(2-oxopyrrolidin-1-yl)phenyl] 3-(2-oxo-3-propylbenzimidazol-1-yl)propanoate
CID 27283261
1-[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]piperidine-2-carboxylic acid
CID 119137800

Frequently Asked Questions

What is the IUPAC name of phenyl 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate?
The IUPAC name of phenyl 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate (CID 27444483) is phenyl 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate.
What is the SMILES notation for phenyl 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate?
The canonical SMILES for phenyl 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate is O=C(COc1ccc(N2CCCC2=O)cc1)Oc1ccccc1.
What is the InChIKey of phenyl 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate?
The InChIKey is GSDABEMKEVTOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c20-17-7-4-12-19(17)14-8-10-15(11-9-14)22-13-18(21)23-16-5-2-1-3-6-16/h1-3,5-6,8-11H,4,7,12-13H2.
What are the key properties of phenyl 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate?
phenyl 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate has a molecular weight of 311.34 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate is sourced from PubChem (CID 27444483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).