methyl 2-[(2R)-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]pyrrolidin-2-yl]acetate

C17H20N2O4 — CID 124613957

IUPACmethyl 2-[(2R)-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]pyrrolidin-2-yl]acetate
SMILESCOC(=O)C[C@H]1CCCN1CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H20N2O4/c1-23-15(20)11-12-5-4-8-18(12)9-10-19-16(21)13-6-2-3-7-14(13)17(19)22/h2-3,6-7,12H,4-5,8-11H2,1H3/t12-/m1/s1
InChIKeyCWJAXVAAJULCSU-GFCCVEGCSA-N
MW316.36 g/mol
LogP1.31
Rot. Bonds5

About methyl 2-[(2R)-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]pyrrolidin-2-yl]acetate

methyl 2-[(2R)-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]pyrrolidin-2-yl]acetate (PubChem CID 124613957) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is methyl 2-[(2R)-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]pyrrolidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2R)-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]pyrrolidin-2-yl]acetate
PubChem CID124613957
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Namemethyl 2-[(2R)-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]pyrrolidin-2-yl]acetate
SMILESCOC(=O)C[C@H]1CCCN1CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H20N2O4/c1-23-15(20)11-12-5-4-8-18(12)9-10-19-16(21)13-6-2-3-7-14(13)17(19)22/h2-3,6-7,12H,4-5,8-11H2,1H3/t12-/m1/s1
InChIKeyCWJAXVAAJULCSU-GFCCVEGCSA-N
XLogP1.31
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidin-2-yl]acetate
CID 62027718
2-[2-[(2R)-2-benzylpyrrolidin-1-yl]ethyl]isoindole-1,3-dione
CID 95568169
2-[4-[2-(aminomethyl)pyrrolidin-1-yl]butyl]isoindole-1,3-dione
CID 164916956
2-[3-[2-(hydroxymethyl)pyrrolidin-1-yl]propyl]isoindole-1,3-dione
CID 72694161
methyl 2-[1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]piperidin-2-yl]acetate
CID 61363381
methyl 2-[1-(3-phenylpropyl)piperidin-2-yl]acetate
CID 61034555
tert-butyl N-[[1-[4-(1,3-dioxoisoindol-2-yl)butyl]pyrrolidin-2-yl]methyl]carbamate
CID 162419836
2-[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethyl]isoindole-1,3-dione
CID 11930918
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]piperidine-2-carboxylic acid
CID 82224049
2-[2-[2-(aminomethyl)-3-methylpiperidin-1-yl]ethyl]isoindole-1,3-dione
CID 119926222
2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]isoindole-1,3-dione
CID 66261613
2-[2-[3-(hydroxymethyl)-2-methylpyrrolidin-1-yl]ethyl]isoindole-1,3-dione
CID 131219720

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R)-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]pyrrolidin-2-yl]acetate?
The IUPAC name of methyl 2-[(2R)-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]pyrrolidin-2-yl]acetate (CID 124613957) is methyl 2-[(2R)-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]pyrrolidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2R)-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]pyrrolidin-2-yl]acetate?
The canonical SMILES for methyl 2-[(2R)-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]pyrrolidin-2-yl]acetate is COC(=O)C[C@H]1CCCN1CCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of methyl 2-[(2R)-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]pyrrolidin-2-yl]acetate?
The InChIKey is CWJAXVAAJULCSU-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-23-15(20)11-12-5-4-8-18(12)9-10-19-16(21)13-6-2-3-7-14(13)17(19)22/h2-3,6-7,12H,4-5,8-11H2,1H3/t12-/m1/s1.
What are the key properties of methyl 2-[(2R)-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]pyrrolidin-2-yl]acetate?
methyl 2-[(2R)-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]pyrrolidin-2-yl]acetate has a molecular weight of 316.36 g/mol, XLogP of 1.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R)-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]pyrrolidin-2-yl]acetate is sourced from PubChem (CID 124613957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).