methyl 2-[5-(methylaminomethyl)-2-oxo-3H-indol-1-yl]-2-oxoacetate

C13H14N2O4 — CID 115142469

IUPACmethyl 2-[5-(methylaminomethyl)-2-oxo-3H-indol-1-yl]-2-oxoacetate
SMILESCNCc1ccc2c(c1)CC(=O)N2C(=O)C(=O)OC
InChIInChI=1S/C13H14N2O4/c1-14-7-8-3-4-10-9(5-8)6-11(16)15(10)12(17)13(18)19-2/h3-5,14H,6-7H2,1-2H3
InChIKeyQXVSAQPRVRIDAB-UHFFFAOYSA-N
MW262.26 g/mol
LogP-0.01
Rot. Bonds2

About methyl 2-[5-(methylaminomethyl)-2-oxo-3H-indol-1-yl]-2-oxoacetate

methyl 2-[5-(methylaminomethyl)-2-oxo-3H-indol-1-yl]-2-oxoacetate (PubChem CID 115142469) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is methyl 2-[5-(methylaminomethyl)-2-oxo-3H-indol-1-yl]-2-oxoacetate.

Molecular Properties

Compound Namemethyl 2-[5-(methylaminomethyl)-2-oxo-3H-indol-1-yl]-2-oxoacetate
PubChem CID115142469
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Namemethyl 2-[5-(methylaminomethyl)-2-oxo-3H-indol-1-yl]-2-oxoacetate
SMILESCNCc1ccc2c(c1)CC(=O)N2C(=O)C(=O)OC
InChIInChI=1S/C13H14N2O4/c1-14-7-8-3-4-10-9(5-8)6-11(16)15(10)12(17)13(18)19-2/h3-5,14H,6-7H2,1-2H3
InChIKeyQXVSAQPRVRIDAB-UHFFFAOYSA-N
XLogP-0.01
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(methylaminomethyl)-1-(2-oxopropyl)-3H-indol-2-one
CID 115234861
1,5-bis(methylaminomethyl)-3H-indol-2-one
CID 115226998
6-(methylaminomethyl)-2-oxo-3,4-dihydroquinoline-1-carboxylic acid
CID 115170974
1-(bromomethyl)-5-(methylaminomethyl)-3H-indol-2-one
CID 115262042
1-[2-(methylamino)ethyl]-5-(methylaminomethyl)-3H-indol-2-one
CID 115195920
1-[4-(methylamino)butyl]-5-(methylaminomethyl)-3H-indol-2-one
CID 115202033
1-(4-aminophenyl)-5-(methylaminomethyl)-3H-indol-2-one
CID 117041280
5-(aminomethyl)-1-[4-(methylamino)butanoyl]-3H-indol-2-one
CID 115155708
1-methyl-6-(methylaminomethyl)-3H-indol-2-one
CID 82603428
5-[(methoxymethylamino)methyl]-1-methyl-3H-indol-2-one
CID 115258520
N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]carbamoyl bromide
CID 115193579
2-[6-(methylaminomethyl)-2-oxo-3,4-dihydroquinolin-1-yl]acetic acid
CID 115218053

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(methylaminomethyl)-2-oxo-3H-indol-1-yl]-2-oxoacetate?
The IUPAC name of methyl 2-[5-(methylaminomethyl)-2-oxo-3H-indol-1-yl]-2-oxoacetate (CID 115142469) is methyl 2-[5-(methylaminomethyl)-2-oxo-3H-indol-1-yl]-2-oxoacetate.
What is the SMILES notation for methyl 2-[5-(methylaminomethyl)-2-oxo-3H-indol-1-yl]-2-oxoacetate?
The canonical SMILES for methyl 2-[5-(methylaminomethyl)-2-oxo-3H-indol-1-yl]-2-oxoacetate is CNCc1ccc2c(c1)CC(=O)N2C(=O)C(=O)OC.
What is the InChIKey of methyl 2-[5-(methylaminomethyl)-2-oxo-3H-indol-1-yl]-2-oxoacetate?
The InChIKey is QXVSAQPRVRIDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-14-7-8-3-4-10-9(5-8)6-11(16)15(10)12(17)13(18)19-2/h3-5,14H,6-7H2,1-2H3.
What are the key properties of methyl 2-[5-(methylaminomethyl)-2-oxo-3H-indol-1-yl]-2-oxoacetate?
methyl 2-[5-(methylaminomethyl)-2-oxo-3H-indol-1-yl]-2-oxoacetate has a molecular weight of 262.26 g/mol, XLogP of -0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(methylaminomethyl)-2-oxo-3H-indol-1-yl]-2-oxoacetate is sourced from PubChem (CID 115142469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).