ethyl 2-[[(2S)-2-(aminomethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]acetate

C15H21NO3 — CID 57173329

IUPACethyl 2-[[(2S)-2-(aminomethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]acetate
SMILESCCOC(=O)COC1c2ccccc2CC[C@H]1CN
InChIInChI=1S/C15H21NO3/c1-2-18-14(17)10-19-15-12(9-16)8-7-11-5-3-4-6-13(11)15/h3-6,12,15H,2,7-10,16H2,1H3/t12-,15?/m0/s1
InChIKeyMETGRBJUQYCAAK-SFVWDYPZSA-N
MW263.34 g/mol
LogP1.83
Rot. Bonds5

About ethyl 2-[[(2S)-2-(aminomethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]acetate

ethyl 2-[[(2S)-2-(aminomethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]acetate (PubChem CID 57173329) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is ethyl 2-[[(2S)-2-(aminomethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]acetate.

Molecular Properties

Compound Nameethyl 2-[[(2S)-2-(aminomethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]acetate
PubChem CID57173329
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Nameethyl 2-[[(2S)-2-(aminomethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]acetate
SMILESCCOC(=O)COC1c2ccccc2CC[C@H]1CN
InChIInChI=1S/C15H21NO3/c1-2-18-14(17)10-19-15-12(9-16)8-7-11-5-3-4-6-13(11)15/h3-6,12,15H,2,7-10,16H2,1H3/t12-,15?/m0/s1
InChIKeyMETGRBJUQYCAAK-SFVWDYPZSA-N
XLogP1.83
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(2,3-dihydro-1H-inden-2-ylamino)oxyacetate
CID 171725944
ethyl (1R,2R)-1-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 10987788
ethyl 2-[2-(9,10-dihydroanthracen-9-yl)ethoxy]acetate
CID 165437215
ethyl 2-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-yl)propanoate
CID 79307919
ethyl 2,2-dimethyl-3-oxo-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanoate
CID 63250503
ethyl (5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5-carboxylate
CID 124678849
ethyl 4-oxo-4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]butanoate
CID 7837641
1-O-(2,3-dihydro-1H-inden-1-yl) 3-O-ethyl 2-ethylpropanedioate
CID 57028303
ethyl 2,2-difluoro-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetate
CID 71078532
2,3-dihydro-1H-inden-1-yl 2-methylbutanoate
CID 59254180
ethyl 2-(2,3-dihydro-1H-inden-1-yl)acetate;ethyl (E)-2-(2,3-dihydro-1H-inden-1-yl)-3-hydroxyprop-2-enoate
CID 161281738
ethyl 2-[methyl-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]acetate
CID 103313878

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(2S)-2-(aminomethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]acetate?
The IUPAC name of ethyl 2-[[(2S)-2-(aminomethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]acetate (CID 57173329) is ethyl 2-[[(2S)-2-(aminomethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]acetate.
What is the SMILES notation for ethyl 2-[[(2S)-2-(aminomethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]acetate?
The canonical SMILES for ethyl 2-[[(2S)-2-(aminomethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]acetate is CCOC(=O)COC1c2ccccc2CC[C@H]1CN.
What is the InChIKey of ethyl 2-[[(2S)-2-(aminomethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]acetate?
The InChIKey is METGRBJUQYCAAK-SFVWDYPZSA-N. The full InChI is InChI=1S/C15H21NO3/c1-2-18-14(17)10-19-15-12(9-16)8-7-11-5-3-4-6-13(11)15/h3-6,12,15H,2,7-10,16H2,1H3/t12-,15?/m0/s1.
What are the key properties of ethyl 2-[[(2S)-2-(aminomethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]acetate?
ethyl 2-[[(2S)-2-(aminomethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]acetate has a molecular weight of 263.34 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(2S)-2-(aminomethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]acetate is sourced from PubChem (CID 57173329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).