methyl (2R)-2-amino-2-phenylacetate;methyl (2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetate

C26H26N2O5 — CID 161202330

IUPACmethyl (2R)-2-amino-2-phenylacetate;methyl (2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetate
SMILESCOC(=O)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O.COC(=O)[C@H](N)c1ccccc1
InChIInChI=1S/C17H15NO3.C9H11NO2/c1-21-17(20)15(12-7-3-2-4-8-12)18-11-13-9-5-6-10-14(13)16(18)19;1-12-9(11)8(10)7-5-3-2-4-6-7/h2-10,15H,11H2,1H3;2-6,8H,10H2,1H3/t15-;8-/m11/s1
InChIKeyUVDLBOJOQPXHGX-JOZHSPBCSA-N
MW446.50 g/mol
LogP3.42
Rot. Bonds5

About methyl (2R)-2-amino-2-phenylacetate;methyl (2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetate

methyl (2R)-2-amino-2-phenylacetate;methyl (2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetate (PubChem CID 161202330) has the molecular formula C26H26N2O5 and a molecular weight of 446.50 g/mol. Its IUPAC name is methyl (2R)-2-amino-2-phenylacetate;methyl (2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetate.

Molecular Properties

Compound Namemethyl (2R)-2-amino-2-phenylacetate;methyl (2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetate
PubChem CID161202330
Molecular FormulaC26H26N2O5
Molecular Weight446.50 g/mol
Exact Mass446.18
IUPAC Namemethyl (2R)-2-amino-2-phenylacetate;methyl (2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetate
SMILESCOC(=O)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O.COC(=O)[C@H](N)c1ccccc1
InChIInChI=1S/C17H15NO3.C9H11NO2/c1-21-17(20)15(12-7-3-2-4-8-12)18-11-13-9-5-6-10-14(13)16(18)19;1-12-9(11)8(10)7-5-3-2-4-6-7/h2-10,15H,11H2,1H3;2-6,8H,10H2,1H3/t15-;8-/m11/s1
InChIKeyUVDLBOJOQPXHGX-JOZHSPBCSA-N
XLogP3.42
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(1S)-2-oxo-1-phenylpropyl]-3H-isoindol-1-one
CID 118594278
ethyl 2-(4-methoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)acetate
CID 101264163
ethyl 2-[[(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetyl]amino]acetate
CID 92688363
(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(2-phenylethyl)acetamide
CID 6622459
methyl 2-[6-[2-(4-formylphenyl)ethynyl]-3-oxo-1H-isoindol-2-yl]-2-phenylacetate
CID 170560575
diethyl 5-[[(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetyl]amino]benzene-1,3-dicarboxylate
CID 20862751
(2R)-N-(5-acetamido-2-methoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide
CID 97263101
2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-1-phenylethyl]-3H-isoindol-1-one
CID 155486491
N-(1-hydroxy-3-phenylpropan-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide
CID 91638506
methyl (2R)-3-(4-hydroxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)propanoate
CID 7086124
1-[(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetyl]piperidine-4-carboxamide
CID 124647529
N-(2-morpholin-4-ylethyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide
CID 20905548

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-2-phenylacetate;methyl (2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetate?
The IUPAC name of methyl (2R)-2-amino-2-phenylacetate;methyl (2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetate (CID 161202330) is methyl (2R)-2-amino-2-phenylacetate;methyl (2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetate.
What is the SMILES notation for methyl (2R)-2-amino-2-phenylacetate;methyl (2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetate?
The canonical SMILES for methyl (2R)-2-amino-2-phenylacetate;methyl (2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetate is COC(=O)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O.COC(=O)[C@H](N)c1ccccc1.
What is the InChIKey of methyl (2R)-2-amino-2-phenylacetate;methyl (2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetate?
The InChIKey is UVDLBOJOQPXHGX-JOZHSPBCSA-N. The full InChI is InChI=1S/C17H15NO3.C9H11NO2/c1-21-17(20)15(12-7-3-2-4-8-12)18-11-13-9-5-6-10-14(13)16(18)19;1-12-9(11)8(10)7-5-3-2-4-6-7/h2-10,15H,11H2,1H3;2-6,8H,10H2,1H3/t15-;8-/m11/s1.
What are the key properties of methyl (2R)-2-amino-2-phenylacetate;methyl (2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetate?
methyl (2R)-2-amino-2-phenylacetate;methyl (2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetate has a molecular weight of 446.50 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-2-phenylacetate;methyl (2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetate is sourced from PubChem (CID 161202330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).