ethyl 2-[[(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetyl]amino]acetate

C20H20N2O4 — CID 92688363

IUPACethyl 2-[[(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O
InChIInChI=1S/C20H20N2O4/c1-2-26-17(23)12-21-19(24)18(14-8-4-3-5-9-14)22-13-15-10-6-7-11-16(15)20(22)25/h3-11,18H,2,12-13H2,1H3,(H,21,24)/t18-/m1/s1
InChIKeyOKLACFMRXPYDKS-GOSISDBHSA-N
MW352.39 g/mol
LogP2.06
Rot. Bonds6

About ethyl 2-[[(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetyl]amino]acetate

ethyl 2-[[(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetyl]amino]acetate (PubChem CID 92688363) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is ethyl 2-[[(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetyl]amino]acetate
PubChem CID92688363
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Nameethyl 2-[[(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O
InChIInChI=1S/C20H20N2O4/c1-2-26-17(23)12-21-19(24)18(14-8-4-3-5-9-14)22-13-15-10-6-7-11-16(15)20(22)25/h3-11,18H,2,12-13H2,1H3,(H,21,24)/t18-/m1/s1
InChIKeyOKLACFMRXPYDKS-GOSISDBHSA-N
XLogP2.06
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[[(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetyl]amino]acetate with MolForge

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Related Compounds

(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(2-phenylethyl)acetamide
CID 6622459
diethyl 5-[[(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetyl]amino]benzene-1,3-dicarboxylate
CID 20862751
2-[(1S)-2-oxo-1-phenylpropyl]-3H-isoindol-1-one
CID 118594278
N-(2-morpholin-4-ylethyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide
CID 20905548
ethyl 2-(4-methoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)acetate
CID 101264163
N-(1-hydroxy-3-phenylpropan-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide
CID 91638506
methyl (2R)-2-amino-2-phenylacetate;methyl (2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetate
CID 161202330
ethyl 2-[[(3R)-3-(4-ethoxy-3-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoyl]amino]acetate
CID 92723066
(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 51607467
(2R)-N-[[1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]methyl]-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide
CID 92688478
ethane;ethyl 4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanoate
CID 153352723
(2R)-N-(5-acetamido-2-methoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide
CID 97263101

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetyl]amino]acetate?
The IUPAC name of ethyl 2-[[(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetyl]amino]acetate (CID 92688363) is ethyl 2-[[(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetyl]amino]acetate?
The canonical SMILES for ethyl 2-[[(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetyl]amino]acetate is CCOC(=O)CNC(=O)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O.
What is the InChIKey of ethyl 2-[[(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetyl]amino]acetate?
The InChIKey is OKLACFMRXPYDKS-GOSISDBHSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-2-26-17(23)12-21-19(24)18(14-8-4-3-5-9-14)22-13-15-10-6-7-11-16(15)20(22)25/h3-11,18H,2,12-13H2,1H3,(H,21,24)/t18-/m1/s1.
What are the key properties of ethyl 2-[[(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetyl]amino]acetate?
ethyl 2-[[(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetyl]amino]acetate has a molecular weight of 352.39 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetyl]amino]acetate is sourced from PubChem (CID 92688363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).