methyl 4-[(1-methyl-2-oxo-3H-indol-5-yl)amino]-4-oxobutanoate

C14H16N2O4 — CID 110777123

IUPACmethyl 4-[(1-methyl-2-oxo-3H-indol-5-yl)amino]-4-oxobutanoate
SMILESCOC(=O)CCC(=O)Nc1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C14H16N2O4/c1-16-11-4-3-10(7-9(11)8-13(16)18)15-12(17)5-6-14(19)20-2/h3-4,7H,5-6,8H2,1-2H3,(H,15,17)
InChIKeyFKJDCLJZTSBRHT-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.10
Rot. Bonds4

About methyl 4-[(1-methyl-2-oxo-3H-indol-5-yl)amino]-4-oxobutanoate

methyl 4-[(1-methyl-2-oxo-3H-indol-5-yl)amino]-4-oxobutanoate (PubChem CID 110777123) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is methyl 4-[(1-methyl-2-oxo-3H-indol-5-yl)amino]-4-oxobutanoate.

Molecular Properties

Compound Namemethyl 4-[(1-methyl-2-oxo-3H-indol-5-yl)amino]-4-oxobutanoate
PubChem CID110777123
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Namemethyl 4-[(1-methyl-2-oxo-3H-indol-5-yl)amino]-4-oxobutanoate
SMILESCOC(=O)CCC(=O)Nc1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C14H16N2O4/c1-16-11-4-3-10(7-9(11)8-13(16)18)15-12(17)5-6-14(19)20-2/h3-4,7H,5-6,8H2,1-2H3,(H,15,17)
InChIKeyFKJDCLJZTSBRHT-UHFFFAOYSA-N
XLogP1.10
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-(1-methyl-2-oxo-3H-indol-5-yl)carbamate
CID 40805084
3-amino-N-(1-methyl-2-oxo-3H-indol-5-yl)butanamide
CID 115153965
3-(4-fluorophenyl)-N-(1-methyl-2-oxo-3H-indol-5-yl)propanamide
CID 110777137
N-(1-methyl-2-oxo-3H-indol-5-yl)carbamoyl bromide
CID 115193255
N-(1-methyl-2-oxo-3H-indol-5-yl)carbamoyl chloride
CID 115194357
ethyl N-(1-methyl-2-oxo-3H-indol-5-yl)carbamate
CID 40805083
2-(1,3-dioxoisoindol-2-yl)-N-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 27421729
methyl 4-(1-methyl-2-oxo-3H-indol-5-yl)butanoate
CID 82350338
N-(4-acetamidophenyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 110768364
3,5-dimethoxy-N-(1-methyl-2-oxo-3H-indol-5-yl)benzamide
CID 16801840
1-(1-methyl-2-oxo-3H-indol-5-yl)-3-(4-methylphenyl)urea
CID 30375662
2-(2-fluorophenoxy)-N-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 18570797

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(1-methyl-2-oxo-3H-indol-5-yl)amino]-4-oxobutanoate?
The IUPAC name of methyl 4-[(1-methyl-2-oxo-3H-indol-5-yl)amino]-4-oxobutanoate (CID 110777123) is methyl 4-[(1-methyl-2-oxo-3H-indol-5-yl)amino]-4-oxobutanoate.
What is the SMILES notation for methyl 4-[(1-methyl-2-oxo-3H-indol-5-yl)amino]-4-oxobutanoate?
The canonical SMILES for methyl 4-[(1-methyl-2-oxo-3H-indol-5-yl)amino]-4-oxobutanoate is COC(=O)CCC(=O)Nc1ccc2c(c1)CC(=O)N2C.
What is the InChIKey of methyl 4-[(1-methyl-2-oxo-3H-indol-5-yl)amino]-4-oxobutanoate?
The InChIKey is FKJDCLJZTSBRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-16-11-4-3-10(7-9(11)8-13(16)18)15-12(17)5-6-14(19)20-2/h3-4,7H,5-6,8H2,1-2H3,(H,15,17).
What are the key properties of methyl 4-[(1-methyl-2-oxo-3H-indol-5-yl)amino]-4-oxobutanoate?
methyl 4-[(1-methyl-2-oxo-3H-indol-5-yl)amino]-4-oxobutanoate has a molecular weight of 276.29 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(1-methyl-2-oxo-3H-indol-5-yl)amino]-4-oxobutanoate is sourced from PubChem (CID 110777123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).