methyl 2-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]acetate

C12H12N2O4 — CID 83724913

IUPACmethyl 2-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C12H12N2O4/c1-18-11(16)6-13-12(17)7-2-3-9-8(4-7)5-10(15)14-9/h2-4H,5-6H2,1H3,(H,13,17)(H,14,15)
InChIKeyXDGQLVRCCLCJLQ-UHFFFAOYSA-N
MW248.24 g/mol
LogP0.08
Rot. Bonds3

About methyl 2-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]acetate

methyl 2-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]acetate (PubChem CID 83724913) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is methyl 2-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]acetate
PubChem CID83724913
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Namemethyl 2-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C12H12N2O4/c1-18-11(16)6-13-12(17)7-2-3-9-8(4-7)5-10(15)14-9/h2-4H,5-6H2,1H3,(H,13,17)(H,14,15)
InChIKeyXDGQLVRCCLCJLQ-UHFFFAOYSA-N
XLogP0.08
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[ethyl(methyl)amino]-2-oxoethyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 104920254
N-(2-hydroxyethyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 18765684
N-(2-ethyl-2-hydroxybutyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 103711840
N-[(4-methoxyphenyl)methyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 11346996
N-(2-hydroxypropyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108784707
N-(2-methyl-2-methylsulfanylpropyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 103713488
2-hydroxy-2-methyl-3-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]propanoic acid
CID 102710774
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 103800042
N-[3-(methylamino)propyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 69247393
N-[(2-methylpropan-2-yl)oxy]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 103868642
N-hexyl-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108784631
2-oxo-N-[(1-propan-2-ylcyclopropyl)methyl]-1,3-dihydroindole-5-carboxamide
CID 103742618

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]acetate (CID 83724913) is methyl 2-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]acetate is COC(=O)CNC(=O)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of methyl 2-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]acetate?
The InChIKey is XDGQLVRCCLCJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c1-18-11(16)6-13-12(17)7-2-3-9-8(4-7)5-10(15)14-9/h2-4H,5-6H2,1H3,(H,13,17)(H,14,15).
What are the key properties of methyl 2-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]acetate?
methyl 2-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]acetate has a molecular weight of 248.24 g/mol, XLogP of 0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]acetate is sourced from PubChem (CID 83724913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).