methyl (2S)-2-[3,4-bis(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]propanoate

C24H19N3O4 — CID 46218510

IUPACmethyl (2S)-2-[3,4-bis(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]propanoate
SMILESCOC(=O)[C@H](C)N1C(=O)C(c2c[nH]c3ccccc23)=C(c2c[nH]c3ccccc23)C1=O
InChIInChI=1S/C24H19N3O4/c1-13(24(30)31-2)27-22(28)20(16-11-25-18-9-5-3-7-14(16)18)21(23(27)29)17-12-26-19-10-6-4-8-15(17)19/h3-13,25-26H,1-2H3/t13-/m0/s1
InChIKeyZTQOKOXSTZWISN-ZDUSSCGKSA-N
MW413.43 g/mol
LogP3.49
Rot. Bonds4

About methyl (2S)-2-[3,4-bis(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]propanoate

methyl (2S)-2-[3,4-bis(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]propanoate (PubChem CID 46218510) has the molecular formula C24H19N3O4 and a molecular weight of 413.43 g/mol. Its IUPAC name is methyl (2S)-2-[3,4-bis(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[3,4-bis(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]propanoate
PubChem CID46218510
Molecular FormulaC24H19N3O4
Molecular Weight413.43 g/mol
Exact Mass413.14
IUPAC Namemethyl (2S)-2-[3,4-bis(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]propanoate
SMILESCOC(=O)[C@H](C)N1C(=O)C(c2c[nH]c3ccccc23)=C(c2c[nH]c3ccccc23)C1=O
InChIInChI=1S/C24H19N3O4/c1-13(24(30)31-2)27-22(28)20(16-11-25-18-9-5-3-7-14(16)18)21(23(27)29)17-12-26-19-10-6-4-8-15(17)19/h3-13,25-26H,1-2H3/t13-/m0/s1
InChIKeyZTQOKOXSTZWISN-ZDUSSCGKSA-N
XLogP3.49
TPSA95.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl (2S)-2-[3,4-bis(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]propanoate with MolForge

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

Launch Full Analysis

Related Compounds

3,4-bis(1H-indol-3-yl)-1-methylpyrrole-2,5-dione
CID 2400
methyl (2S)-2-[[2-[3-[4-(1H-indol-3-yl)-1-methyl-2,5-dioxopyrrol-3-yl]indol-1-yl]acetyl]amino]-3-methylbutanoate
CID 46933956
[(1R)-1-(1H-indol-3-yl)-2-methoxy-2-oxoethyl]azanium
CID 2374175
methyl 2-(1H-indol-3-yl)-2-methoxyacetate
CID 13133991
methyl 2-(1H-indol-3-yl)benzoate
CID 67678189
methyl 2-[2-(1H-indol-3-yl)-2-oxoacetyl]oxypropanoate
CID 10492618
ethane;methyl 3-(1H-indol-3-yl)-2-methylpropanoate
CID 169189360
methyl (1R)-1,3-bis(1H-indol-3-yl)-4-methoxy-2,5-dioxocyclopent-3-ene-1-carboxylate
CID 139093182
methyl (2S)-2-[[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propanoate
CID 135737324
dimethyl 3,4-bis(1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dicarboxylate
CID 163112824
methyl 3-amino-2-(1H-indol-3-yl)propanoate
CID 11470824
methyl 2-bromo-3-(1H-indol-3-yl)propanoate
CID 82627645

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[3,4-bis(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]propanoate?
The IUPAC name of methyl (2S)-2-[3,4-bis(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]propanoate (CID 46218510) is methyl (2S)-2-[3,4-bis(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]propanoate.
What is the SMILES notation for methyl (2S)-2-[3,4-bis(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]propanoate?
The canonical SMILES for methyl (2S)-2-[3,4-bis(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]propanoate is COC(=O)[C@H](C)N1C(=O)C(c2c[nH]c3ccccc23)=C(c2c[nH]c3ccccc23)C1=O.
What is the InChIKey of methyl (2S)-2-[3,4-bis(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]propanoate?
The InChIKey is ZTQOKOXSTZWISN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C24H19N3O4/c1-13(24(30)31-2)27-22(28)20(16-11-25-18-9-5-3-7-14(16)18)21(23(27)29)17-12-26-19-10-6-4-8-15(17)19/h3-13,25-26H,1-2H3/t13-/m0/s1.
What are the key properties of methyl (2S)-2-[3,4-bis(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]propanoate?
methyl (2S)-2-[3,4-bis(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]propanoate has a molecular weight of 413.43 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[3,4-bis(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]propanoate is sourced from PubChem (CID 46218510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).