methyl 3-[(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-2,2-dimethylpropanoate

C16H23NO3 — CID 79629209

IUPACmethyl 3-[(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)COc1cccc2c1CCCC2N
InChIInChI=1S/C16H23NO3/c1-16(2,15(18)19-3)10-20-14-9-5-6-11-12(14)7-4-8-13(11)17/h5-6,9,13H,4,7-8,10,17H2,1-3H3
InChIKeyYXPJTHZXARTLDL-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.60
Rot. Bonds4

About methyl 3-[(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-2,2-dimethylpropanoate

methyl 3-[(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-2,2-dimethylpropanoate (PubChem CID 79629209) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is methyl 3-[(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-[(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-2,2-dimethylpropanoate
PubChem CID79629209
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Namemethyl 3-[(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)COc1cccc2c1CCCC2N
InChIInChI=1S/C16H23NO3/c1-16(2,15(18)19-3)10-20-14-9-5-6-11-12(14)7-4-8-13(11)17/h5-6,9,13H,4,7-8,10,17H2,1-3H3
InChIKeyYXPJTHZXARTLDL-UHFFFAOYSA-N
XLogP2.60
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N-(cyanomethyl)acetamide
CID 65455158
2-[(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N,N-diethylacetamide
CID 65455345
4-[(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-2-methylbutan-2-ol
CID 79360240
5-[(Z)-3-chloro-2-methylprop-2-enoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106437029
5-(4-methoxybutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 113436812
5-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 70349932
2-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-N-cyclopentylacetamide
CID 63090820
5-[3-(2,2,2-trifluoroethoxy)propoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65456111
methyl 5-amino-5,6,7,8-tetrahydronaphthalene-1-carboxylate;hydrochloride
CID 154878753
(1R)-5-[2-[4-[2-[[(5R)-5-amino-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]ethyl]phenyl]ethoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 162767640
2-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-N-(2-methylpropyl)acetamide
CID 63091712
2-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-N-pentan-3-ylacetamide
CID 63089577

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-[(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-2,2-dimethylpropanoate (CID 79629209) is methyl 3-[(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-[(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-[(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-2,2-dimethylpropanoate is COC(=O)C(C)(C)COc1cccc2c1CCCC2N.
What is the InChIKey of methyl 3-[(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-2,2-dimethylpropanoate?
The InChIKey is YXPJTHZXARTLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-16(2,15(18)19-3)10-20-14-9-5-6-11-12(14)7-4-8-13(11)17/h5-6,9,13H,4,7-8,10,17H2,1-3H3.
What are the key properties of methyl 3-[(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-2,2-dimethylpropanoate?
methyl 3-[(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-2,2-dimethylpropanoate has a molecular weight of 277.36 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-2,2-dimethylpropanoate is sourced from PubChem (CID 79629209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).