2-[methyl-(2-oxo-1,3-dihydroindol-5-yl)amino]-2-oxoacetic acid

C11H10N2O4 — CID 115141221

IUPAC2-[methyl-(2-oxo-1,3-dihydroindol-5-yl)amino]-2-oxoacetic acid
SMILESCN(C(=O)C(=O)O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C11H10N2O4/c1-13(10(15)11(16)17)7-2-3-8-6(4-7)5-9(14)12-8/h2-4H,5H2,1H3,(H,12,14)(H,16,17)
InChIKeyCTXMOLCZDQNTID-UHFFFAOYSA-N
MW234.21 g/mol
LogP0.23
Rot. Bonds1

About 2-[methyl-(2-oxo-1,3-dihydroindol-5-yl)amino]-2-oxoacetic acid

2-[methyl-(2-oxo-1,3-dihydroindol-5-yl)amino]-2-oxoacetic acid (PubChem CID 115141221) has the molecular formula C11H10N2O4 and a molecular weight of 234.21 g/mol. Its IUPAC name is 2-[methyl-(2-oxo-1,3-dihydroindol-5-yl)amino]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[methyl-(2-oxo-1,3-dihydroindol-5-yl)amino]-2-oxoacetic acid
PubChem CID115141221
Molecular FormulaC11H10N2O4
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Name2-[methyl-(2-oxo-1,3-dihydroindol-5-yl)amino]-2-oxoacetic acid
SMILESCN(C(=O)C(=O)O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C11H10N2O4/c1-13(10(15)11(16)17)7-2-3-8-6(4-7)5-9(14)12-8/h2-4H,5H2,1H3,(H,12,14)(H,16,17)
InChIKeyCTXMOLCZDQNTID-UHFFFAOYSA-N
XLogP0.23
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-cyano-N-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)formamide
CID 115171999
N-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)pyrrolidine-3-carboxamide
CID 115159432
3-methyl-3-[methyl-(2-oxo-1,3-dihydroindol-5-yl)amino]butanoic acid
CID 117042344
3-amino-N-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide
CID 82498531
methyl N-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)carbamate
CID 115190470
5-[3-aminopropyl(methyl)amino]-1,3-dihydroindol-2-one
CID 82493886
5-[4-aminobutyl(methyl)amino]-1,3-dihydroindol-2-one
CID 115201098
5-[(2-aminocyclohexyl)-methylamino]-1,3-dihydroindol-2-one
CID 115117886
acetic acid;1,3-dihydroindol-2-one
CID 158067424
(2S)-2-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid
CID 95438818
(2R)-2-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid
CID 95438819
4-[methyl-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]butanoic acid
CID 115218529

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(2-oxo-1,3-dihydroindol-5-yl)amino]-2-oxoacetic acid?
The IUPAC name of 2-[methyl-(2-oxo-1,3-dihydroindol-5-yl)amino]-2-oxoacetic acid (CID 115141221) is 2-[methyl-(2-oxo-1,3-dihydroindol-5-yl)amino]-2-oxoacetic acid.
What is the SMILES notation for 2-[methyl-(2-oxo-1,3-dihydroindol-5-yl)amino]-2-oxoacetic acid?
The canonical SMILES for 2-[methyl-(2-oxo-1,3-dihydroindol-5-yl)amino]-2-oxoacetic acid is CN(C(=O)C(=O)O)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 2-[methyl-(2-oxo-1,3-dihydroindol-5-yl)amino]-2-oxoacetic acid?
The InChIKey is CTXMOLCZDQNTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4/c1-13(10(15)11(16)17)7-2-3-8-6(4-7)5-9(14)12-8/h2-4H,5H2,1H3,(H,12,14)(H,16,17).
What are the key properties of 2-[methyl-(2-oxo-1,3-dihydroindol-5-yl)amino]-2-oxoacetic acid?
2-[methyl-(2-oxo-1,3-dihydroindol-5-yl)amino]-2-oxoacetic acid has a molecular weight of 234.21 g/mol, XLogP of 0.23, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(2-oxo-1,3-dihydroindol-5-yl)amino]-2-oxoacetic acid is sourced from PubChem (CID 115141221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).