ethyl 2-[6-(2-amino-2-oxoethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetate

C16H21NO3 — CID 175492620

IUPACethyl 2-[6-(2-amino-2-oxoethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetate
SMILESCCOC(=O)CC1CCc2cc(CC(N)=O)ccc2C1
InChIInChI=1S/C16H21NO3/c1-2-20-16(19)10-12-4-6-13-7-11(9-15(17)18)3-5-14(13)8-12/h3,5,7,12H,2,4,6,8-10H2,1H3,(H2,17,18)
InChIKeyLDKBDEZAZLNKEX-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.77
Rot. Bonds5

About ethyl 2-[6-(2-amino-2-oxoethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetate

ethyl 2-[6-(2-amino-2-oxoethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetate (PubChem CID 175492620) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is ethyl 2-[6-(2-amino-2-oxoethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[6-(2-amino-2-oxoethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetate
PubChem CID175492620
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Nameethyl 2-[6-(2-amino-2-oxoethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetate
SMILESCCOC(=O)CC1CCc2cc(CC(N)=O)ccc2C1
InChIInChI=1S/C16H21NO3/c1-2-20-16(19)10-12-4-6-13-7-11(9-15(17)18)3-5-14(13)8-12/h3,5,7,12H,2,4,6,8-10H2,1H3,(H2,17,18)
InChIKeyLDKBDEZAZLNKEX-UHFFFAOYSA-N
XLogP1.77
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(7-amino-1,2,3,4-tetrahydronaphthalen-2-yl)acetate;hydrochloride
CID 70049815
ethyl 2-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)acetate
CID 139635533
ethyl 2-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)acetate;hydrochloride
CID 139635532
ethyl 2-[7-[(4-carbamimidoylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]acetate
CID 10808900
ethyl 2-(2,3-dihydro-1H-inden-2-yl)acetate
CID 10104359
2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 131876575
ethyl 7-(2-amino-2-oxoethyl)-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate
CID 66982292
2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 25653
ethyl 2-[7-[(E)-2-(4-cyanophenyl)ethenyl]-1,2,3,4-tetrahydronaphthalen-2-yl]acetate
CID 10521456
ethyl 2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidin-3-yl]acetate
CID 83982086
ethyl 6-(aminomethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride
CID 19386072
methyl 3-[(2S)-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,2,3,4-tetrahydronaphthalen-2-yl]propanoate
CID 159363969

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-(2-amino-2-oxoethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetate?
The IUPAC name of ethyl 2-[6-(2-amino-2-oxoethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetate (CID 175492620) is ethyl 2-[6-(2-amino-2-oxoethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetate.
What is the SMILES notation for ethyl 2-[6-(2-amino-2-oxoethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetate?
The canonical SMILES for ethyl 2-[6-(2-amino-2-oxoethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetate is CCOC(=O)CC1CCc2cc(CC(N)=O)ccc2C1.
What is the InChIKey of ethyl 2-[6-(2-amino-2-oxoethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetate?
The InChIKey is LDKBDEZAZLNKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-2-20-16(19)10-12-4-6-13-7-11(9-15(17)18)3-5-14(13)8-12/h3,5,7,12H,2,4,6,8-10H2,1H3,(H2,17,18).
What are the key properties of ethyl 2-[6-(2-amino-2-oxoethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetate?
ethyl 2-[6-(2-amino-2-oxoethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetate has a molecular weight of 275.35 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[6-(2-amino-2-oxoethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetate is sourced from PubChem (CID 175492620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).