ethyl 2-[(2-amino-6-ethoxy-2,3-dihydro-1H-inden-5-yl)oxy]acetate

C15H21NO4 — CID 166125448

IUPACethyl 2-[(2-amino-6-ethoxy-2,3-dihydro-1H-inden-5-yl)oxy]acetate
SMILESCCOC(=O)COc1cc2c(cc1OCC)CC(N)C2
InChIInChI=1S/C15H21NO4/c1-3-18-13-7-10-5-12(16)6-11(10)8-14(13)20-9-15(17)19-4-2/h7-8,12H,3-6,9,16H2,1-2H3
InChIKeyQJZBXTRBQOAUFP-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.45
Rot. Bonds6

About ethyl 2-[(2-amino-6-ethoxy-2,3-dihydro-1H-inden-5-yl)oxy]acetate

ethyl 2-[(2-amino-6-ethoxy-2,3-dihydro-1H-inden-5-yl)oxy]acetate (PubChem CID 166125448) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is ethyl 2-[(2-amino-6-ethoxy-2,3-dihydro-1H-inden-5-yl)oxy]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-amino-6-ethoxy-2,3-dihydro-1H-inden-5-yl)oxy]acetate
PubChem CID166125448
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Nameethyl 2-[(2-amino-6-ethoxy-2,3-dihydro-1H-inden-5-yl)oxy]acetate
SMILESCCOC(=O)COc1cc2c(cc1OCC)CC(N)C2
InChIInChI=1S/C15H21NO4/c1-3-18-13-7-10-5-12(16)6-11(10)8-14(13)20-9-15(17)19-4-2/h7-8,12H,3-6,9,16H2,1-2H3
InChIKeyQJZBXTRBQOAUFP-UHFFFAOYSA-N
XLogP1.45
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-amino-6-ethoxy-2,3-dihydro-1H-inden-5-yl)butanoic acid
CID 166126162
ethyl 2-[5-chloro-2-ethoxy-4-(2-hydroxyethyl)phenoxy]acetate
CID 18620089
ethyl 3-(2-amino-5-ethoxy-2,3-dihydro-1H-inden-4-yl)propanoate
CID 167179371
ethyl 2-[5-bromo-2-ethoxy-4-(hydroxymethyl)phenoxy]acetate
CID 45371599
ethyl 4-[(2-amino-6-ethoxy-2,3-dihydro-1H-inden-4-yl)oxy]butanoate
CID 166125629
ethyl 5,6-diethoxy-3-oxo-1,2-dihydroindene-2-carboxylate
CID 21191717
ethyl 2-[3,5-bis(2-ethoxy-2-oxoethoxy)phenoxy]acetate
CID 71361550
7-amino-4-ethoxy-3,6,7,8-tetrahydrocyclopenta[g][1]benzofuran-2-one
CID 171725922
methyl 2-[(2-amino-2,3-dihydro-1H-inden-5-yl)oxy]acetate;hydrochloride
CID 86744373
4-[(2-amino-6-methoxy-2,3-dihydro-1H-inden-5-yl)oxy]butanoic acid
CID 166125815
ethyl 2-[(6-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetate
CID 67613778
ethyl 2-(4-amino-2,6-dimethylphenoxy)acetate
CID 5305638

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-amino-6-ethoxy-2,3-dihydro-1H-inden-5-yl)oxy]acetate?
The IUPAC name of ethyl 2-[(2-amino-6-ethoxy-2,3-dihydro-1H-inden-5-yl)oxy]acetate (CID 166125448) is ethyl 2-[(2-amino-6-ethoxy-2,3-dihydro-1H-inden-5-yl)oxy]acetate.
What is the SMILES notation for ethyl 2-[(2-amino-6-ethoxy-2,3-dihydro-1H-inden-5-yl)oxy]acetate?
The canonical SMILES for ethyl 2-[(2-amino-6-ethoxy-2,3-dihydro-1H-inden-5-yl)oxy]acetate is CCOC(=O)COc1cc2c(cc1OCC)CC(N)C2.
What is the InChIKey of ethyl 2-[(2-amino-6-ethoxy-2,3-dihydro-1H-inden-5-yl)oxy]acetate?
The InChIKey is QJZBXTRBQOAUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-3-18-13-7-10-5-12(16)6-11(10)8-14(13)20-9-15(17)19-4-2/h7-8,12H,3-6,9,16H2,1-2H3.
What are the key properties of ethyl 2-[(2-amino-6-ethoxy-2,3-dihydro-1H-inden-5-yl)oxy]acetate?
ethyl 2-[(2-amino-6-ethoxy-2,3-dihydro-1H-inden-5-yl)oxy]acetate has a molecular weight of 279.34 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-amino-6-ethoxy-2,3-dihydro-1H-inden-5-yl)oxy]acetate is sourced from PubChem (CID 166125448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).