methyl 2-[[2-[(2S)-2-hydroxy-2-methyl-3-(3-oxo-1H-isoindol-2-yl)propanoyl]oxyacetyl]-methylamino]benzoate

C23H24N2O7 — CID 100715278

IUPACmethyl 2-[[2-[(2S)-2-hydroxy-2-methyl-3-(3-oxo-1H-isoindol-2-yl)propanoyl]oxyacetyl]-methylamino]benzoate
SMILESCOC(=O)c1ccccc1N(C)C(=O)COC(=O)[C@@](C)(O)CN1Cc2ccccc2C1=O
InChIInChI=1S/C23H24N2O7/c1-23(30,14-25-12-15-8-4-5-9-16(15)20(25)27)22(29)32-13-19(26)24(2)18-11-7-6-10-17(18)21(28)31-3/h4-11,30H,12-14H2,1-3H3/t23-/m0/s1
InChIKeyFXIPGHHKGOTEOK-QHCPKHFHSA-N
MW440.45 g/mol
LogP1.39
Rot. Bonds7

About methyl 2-[[2-[(2S)-2-hydroxy-2-methyl-3-(3-oxo-1H-isoindol-2-yl)propanoyl]oxyacetyl]-methylamino]benzoate

methyl 2-[[2-[(2S)-2-hydroxy-2-methyl-3-(3-oxo-1H-isoindol-2-yl)propanoyl]oxyacetyl]-methylamino]benzoate (PubChem CID 100715278) has the molecular formula C23H24N2O7 and a molecular weight of 440.45 g/mol. Its IUPAC name is methyl 2-[[2-[(2S)-2-hydroxy-2-methyl-3-(3-oxo-1H-isoindol-2-yl)propanoyl]oxyacetyl]-methylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-[(2S)-2-hydroxy-2-methyl-3-(3-oxo-1H-isoindol-2-yl)propanoyl]oxyacetyl]-methylamino]benzoate
PubChem CID100715278
Molecular FormulaC23H24N2O7
Molecular Weight440.45 g/mol
Exact Mass440.16
IUPAC Namemethyl 2-[[2-[(2S)-2-hydroxy-2-methyl-3-(3-oxo-1H-isoindol-2-yl)propanoyl]oxyacetyl]-methylamino]benzoate
SMILESCOC(=O)c1ccccc1N(C)C(=O)COC(=O)[C@@](C)(O)CN1Cc2ccccc2C1=O
InChIInChI=1S/C23H24N2O7/c1-23(30,14-25-12-15-8-4-5-9-16(15)20(25)27)22(29)32-13-19(26)24(2)18-11-7-6-10-17(18)21(28)31-3/h4-11,30H,12-14H2,1-3H3/t23-/m0/s1
InChIKeyFXIPGHHKGOTEOK-QHCPKHFHSA-N
XLogP1.39
TPSA113.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.45
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[[2-[(2S)-2-hydroxy-2-methyl-3-(3-oxo-1H-isoindol-2-yl)propanoyl]oxyacetyl]-methylamino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[(2S)-2-hydroxy-2-methyl-3-(3-oxo-1H-isoindol-2-yl)propanoyl]oxyacetyl]-methylamino]benzoate?
The IUPAC name of methyl 2-[[2-[(2S)-2-hydroxy-2-methyl-3-(3-oxo-1H-isoindol-2-yl)propanoyl]oxyacetyl]-methylamino]benzoate (CID 100715278) is methyl 2-[[2-[(2S)-2-hydroxy-2-methyl-3-(3-oxo-1H-isoindol-2-yl)propanoyl]oxyacetyl]-methylamino]benzoate.
What is the SMILES notation for methyl 2-[[2-[(2S)-2-hydroxy-2-methyl-3-(3-oxo-1H-isoindol-2-yl)propanoyl]oxyacetyl]-methylamino]benzoate?
The canonical SMILES for methyl 2-[[2-[(2S)-2-hydroxy-2-methyl-3-(3-oxo-1H-isoindol-2-yl)propanoyl]oxyacetyl]-methylamino]benzoate is COC(=O)c1ccccc1N(C)C(=O)COC(=O)[C@@](C)(O)CN1Cc2ccccc2C1=O.
What is the InChIKey of methyl 2-[[2-[(2S)-2-hydroxy-2-methyl-3-(3-oxo-1H-isoindol-2-yl)propanoyl]oxyacetyl]-methylamino]benzoate?
The InChIKey is FXIPGHHKGOTEOK-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H24N2O7/c1-23(30,14-25-12-15-8-4-5-9-16(15)20(25)27)22(29)32-13-19(26)24(2)18-11-7-6-10-17(18)21(28)31-3/h4-11,30H,12-14H2,1-3H3/t23-/m0/s1.
What are the key properties of methyl 2-[[2-[(2S)-2-hydroxy-2-methyl-3-(3-oxo-1H-isoindol-2-yl)propanoyl]oxyacetyl]-methylamino]benzoate?
methyl 2-[[2-[(2S)-2-hydroxy-2-methyl-3-(3-oxo-1H-isoindol-2-yl)propanoyl]oxyacetyl]-methylamino]benzoate has a molecular weight of 440.45 g/mol, XLogP of 1.39, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[(2S)-2-hydroxy-2-methyl-3-(3-oxo-1H-isoindol-2-yl)propanoyl]oxyacetyl]-methylamino]benzoate is sourced from PubChem (CID 100715278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).