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

C13H16N2O4 — CID 61328373

IUPACmethyl 2-[2-amino-2-(2-oxo-1,3-dihydroindol-5-yl)ethoxy]acetate
SMILESCOC(=O)COCC(N)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C13H16N2O4/c1-18-13(17)7-19-6-10(14)8-2-3-11-9(4-8)5-12(16)15-11/h2-4,10H,5-7,14H2,1H3,(H,15,16)
InChIKeyVYKCHBAPUYGYGD-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.37
Rot. Bonds5

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

methyl 2-[2-amino-2-(2-oxo-1,3-dihydroindol-5-yl)ethoxy]acetate (PubChem CID 61328373) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is methyl 2-[2-amino-2-(2-oxo-1,3-dihydroindol-5-yl)ethoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[2-amino-2-(2-oxo-1,3-dihydroindol-5-yl)ethoxy]acetate
PubChem CID61328373
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Namemethyl 2-[2-amino-2-(2-oxo-1,3-dihydroindol-5-yl)ethoxy]acetate
SMILESCOC(=O)COCC(N)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C13H16N2O4/c1-18-13(17)7-19-6-10(14)8-2-3-11-9(4-8)5-12(16)15-11/h2-4,10H,5-7,14H2,1H3,(H,15,16)
InChIKeyVYKCHBAPUYGYGD-UHFFFAOYSA-N
XLogP0.37
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-amino-2-(methylamino)ethyl]-1,3-dihydroindol-2-one
CID 116932458
methyl 3,4-dihydroxy-4-(2-oxo-1,3-dihydroindol-5-yl)butanoate
CID 171895821
methyl 3-amino-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanoate
CID 116940124
methyl 5-amino-5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pentanoate
CID 60860810
2-[2-hydroxy-2-(2-oxo-1,3-dihydroindol-5-yl)ethoxy]acetic acid
CID 61328207
methyl 2,3-dihydroxy-3-(2-oxo-1,3-dihydroindol-5-yl)propanoate
CID 171864289
5-[1-amino-3-(2,2-difluoroethoxy)propyl]-1,3-dihydroindol-2-one
CID 103207060
2-amino-N-methyl-2-(2-oxo-1,3-dihydroindol-5-yl)acetamide
CID 116850390
5-(1-amino-3-methoxypropan-2-yl)-1,3-dihydroindol-2-one
CID 116835597
5-[1-amino-2-(2-methylphenyl)ethyl]-1,3-dihydroindol-2-one
CID 43197980
2-amino-N',N'-dimethyl-2-(2-oxo-1,3-dihydroindol-5-yl)acetohydrazide
CID 116849801
ethyl 2-chloro-2-(2-oxo-1,3-dihydroindol-5-yl)acetate
CID 116863121

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-amino-2-(2-oxo-1,3-dihydroindol-5-yl)ethoxy]acetate?
The IUPAC name of methyl 2-[2-amino-2-(2-oxo-1,3-dihydroindol-5-yl)ethoxy]acetate (CID 61328373) is methyl 2-[2-amino-2-(2-oxo-1,3-dihydroindol-5-yl)ethoxy]acetate.
What is the SMILES notation for methyl 2-[2-amino-2-(2-oxo-1,3-dihydroindol-5-yl)ethoxy]acetate?
The canonical SMILES for methyl 2-[2-amino-2-(2-oxo-1,3-dihydroindol-5-yl)ethoxy]acetate is COC(=O)COCC(N)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of methyl 2-[2-amino-2-(2-oxo-1,3-dihydroindol-5-yl)ethoxy]acetate?
The InChIKey is VYKCHBAPUYGYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-18-13(17)7-19-6-10(14)8-2-3-11-9(4-8)5-12(16)15-11/h2-4,10H,5-7,14H2,1H3,(H,15,16).
What are the key properties of methyl 2-[2-amino-2-(2-oxo-1,3-dihydroindol-5-yl)ethoxy]acetate?
methyl 2-[2-amino-2-(2-oxo-1,3-dihydroindol-5-yl)ethoxy]acetate has a molecular weight of 264.28 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-amino-2-(2-oxo-1,3-dihydroindol-5-yl)ethoxy]acetate is sourced from PubChem (CID 61328373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).