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

C13H14N2O4 — CID 115142468

IUPACmethyl 2-[methyl-[(2-oxo-1,3-dihydroindol-5-yl)methyl]amino]-2-oxoacetate
SMILESCOC(=O)C(=O)N(C)Cc1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C13H14N2O4/c1-15(12(17)13(18)19-2)7-8-3-4-10-9(5-8)6-11(16)14-10/h3-5H,6-7H2,1-2H3,(H,14,16)
InChIKeyPHVXSVOOKOXAOJ-UHFFFAOYSA-N
MW262.26 g/mol
LogP0.31
Rot. Bonds2

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

methyl 2-[methyl-[(2-oxo-1,3-dihydroindol-5-yl)methyl]amino]-2-oxoacetate (PubChem CID 115142468) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is methyl 2-[methyl-[(2-oxo-1,3-dihydroindol-5-yl)methyl]amino]-2-oxoacetate.

Molecular Properties

Compound Namemethyl 2-[methyl-[(2-oxo-1,3-dihydroindol-5-yl)methyl]amino]-2-oxoacetate
PubChem CID115142468
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Namemethyl 2-[methyl-[(2-oxo-1,3-dihydroindol-5-yl)methyl]amino]-2-oxoacetate
SMILESCOC(=O)C(=O)N(C)Cc1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C13H14N2O4/c1-15(12(17)13(18)19-2)7-8-3-4-10-9(5-8)6-11(16)14-10/h3-5H,6-7H2,1-2H3,(H,14,16)
InChIKeyPHVXSVOOKOXAOJ-UHFFFAOYSA-N
XLogP0.31
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-3-(methylamino)-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]propanamide
CID 115153275
N-methyl-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]-3-sulfanylpropanamide
CID 115167940
4-amino-N-methyl-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]butanamide
CID 115155349
5-[[bromomethyl(methyl)amino]methyl]-1,3-dihydroindol-2-one
CID 115262041
5-[[2-(ethylamino)ethyl-methylamino]methyl]-1,3-dihydroindol-2-one
CID 115205907
5-(methoxymethyl)-1,3-dihydroindol-2-one
CID 22154148
N-methyl-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]carbamoyl chloride
CID 115195045
2-amino-3-[methyl-[(2-oxo-1,3-dihydroindol-5-yl)methyl]amino]propanoic acid
CID 115240765
N-methyl-2-(2-oxo-1,3-dihydroindol-5-yl)acetohydrazide
CID 116844796
2-hydroxy-N-methyl-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]acetamide
CID 115140167
5-[[(3-amino-2-hydroxypropyl)-methylamino]methyl]-1,3-dihydroindol-2-one
CID 115121496
N'-methyl-2-(2-oxo-1,3-dihydroindol-5-yl)acetohydrazide
CID 116846191

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-[(2-oxo-1,3-dihydroindol-5-yl)methyl]amino]-2-oxoacetate?
The IUPAC name of methyl 2-[methyl-[(2-oxo-1,3-dihydroindol-5-yl)methyl]amino]-2-oxoacetate (CID 115142468) is methyl 2-[methyl-[(2-oxo-1,3-dihydroindol-5-yl)methyl]amino]-2-oxoacetate.
What is the SMILES notation for methyl 2-[methyl-[(2-oxo-1,3-dihydroindol-5-yl)methyl]amino]-2-oxoacetate?
The canonical SMILES for methyl 2-[methyl-[(2-oxo-1,3-dihydroindol-5-yl)methyl]amino]-2-oxoacetate is COC(=O)C(=O)N(C)Cc1ccc2c(c1)CC(=O)N2.
What is the InChIKey of methyl 2-[methyl-[(2-oxo-1,3-dihydroindol-5-yl)methyl]amino]-2-oxoacetate?
The InChIKey is PHVXSVOOKOXAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-15(12(17)13(18)19-2)7-8-3-4-10-9(5-8)6-11(16)14-10/h3-5H,6-7H2,1-2H3,(H,14,16).
What are the key properties of methyl 2-[methyl-[(2-oxo-1,3-dihydroindol-5-yl)methyl]amino]-2-oxoacetate?
methyl 2-[methyl-[(2-oxo-1,3-dihydroindol-5-yl)methyl]amino]-2-oxoacetate has a molecular weight of 262.26 g/mol, XLogP of 0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-[(2-oxo-1,3-dihydroindol-5-yl)methyl]amino]-2-oxoacetate is sourced from PubChem (CID 115142468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).