methyl 2,2-dimethyl-3-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanoate

C16H21NO4 — CID 79620550

IUPACmethyl 2,2-dimethyl-3-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanoate
SMILESCOC(=O)C(C)(C)COc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C16H21NO4/c1-16(2,15(19)20-3)11-21-13-7-4-6-12(10-13)17-9-5-8-14(17)18/h4,6-7,10H,5,8-9,11H2,1-3H3
InChIKeyULGWIDSJCDXCCR-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.39
Rot. Bonds5

About methyl 2,2-dimethyl-3-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanoate

methyl 2,2-dimethyl-3-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanoate (PubChem CID 79620550) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is methyl 2,2-dimethyl-3-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanoate.

Molecular Properties

Compound Namemethyl 2,2-dimethyl-3-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanoate
PubChem CID79620550
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Namemethyl 2,2-dimethyl-3-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanoate
SMILESCOC(=O)C(C)(C)COc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C16H21NO4/c1-16(2,15(19)20-3)11-21-13-7-4-6-12(10-13)17-9-5-8-14(17)18/h4,6-7,10H,5,8-9,11H2,1-3H3
InChIKeyULGWIDSJCDXCCR-UHFFFAOYSA-N
XLogP2.39
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one
CID 119561650
N-(2-hydroxyethyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 78823345
N-[(3-methylphenyl)methyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 38294113
N-(2,2-dimethyl-1-phenylpropyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 78864739
(2R)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanoic acid
CID 103337920
N-cyclooctyl-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 18106196
4-[3-(2-oxopyrrolidin-1-yl)phenoxy]butanoic acid
CID 43665961
1-[3-[3-(4-methoxyphenoxy)propoxy]phenyl]pyrrolidin-2-one
CID 39992148
1-[3-[3-(2-oxopyrrolidin-1-yl)phenoxy]phenyl]pyrrolidin-2-one
CID 142760205
N-(3-aminobutyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 119496961
5-[3-(2-oxopyrrolidin-1-yl)phenoxy]pentanehydrazide
CID 63570883
2-[3-(2-oxopiperidin-1-yl)phenoxy]ethanethioamide
CID 43369803

Frequently Asked Questions

What is the IUPAC name of methyl 2,2-dimethyl-3-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanoate?
The IUPAC name of methyl 2,2-dimethyl-3-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanoate (CID 79620550) is methyl 2,2-dimethyl-3-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanoate.
What is the SMILES notation for methyl 2,2-dimethyl-3-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanoate?
The canonical SMILES for methyl 2,2-dimethyl-3-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanoate is COC(=O)C(C)(C)COc1cccc(N2CCCC2=O)c1.
What is the InChIKey of methyl 2,2-dimethyl-3-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanoate?
The InChIKey is ULGWIDSJCDXCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-16(2,15(19)20-3)11-21-13-7-4-6-12(10-13)17-9-5-8-14(17)18/h4,6-7,10H,5,8-9,11H2,1-3H3.
What are the key properties of methyl 2,2-dimethyl-3-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanoate?
methyl 2,2-dimethyl-3-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanoate has a molecular weight of 291.35 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-dimethyl-3-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanoate is sourced from PubChem (CID 79620550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).