tert-butyl 2-[(3-amino-1,2,3,4-tetrahydronaphthalen-2-yl)oxy]acetate

C16H23NO3 — CID 69202865

IUPACtert-butyl 2-[(3-amino-1,2,3,4-tetrahydronaphthalen-2-yl)oxy]acetate
SMILESCC(C)(C)OC(=O)COC1Cc2ccccc2CC1N
InChIInChI=1S/C16H23NO3/c1-16(2,3)20-15(18)10-19-14-9-12-7-5-4-6-11(12)8-13(14)17/h4-7,13-14H,8-10,17H2,1-3H3
InChIKeyRJDYQHCVBHDESD-UHFFFAOYSA-N
MW277.36 g/mol
LogP1.84
Rot. Bonds3

About tert-butyl 2-[(3-amino-1,2,3,4-tetrahydronaphthalen-2-yl)oxy]acetate

tert-butyl 2-[(3-amino-1,2,3,4-tetrahydronaphthalen-2-yl)oxy]acetate (PubChem CID 69202865) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is tert-butyl 2-[(3-amino-1,2,3,4-tetrahydronaphthalen-2-yl)oxy]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(3-amino-1,2,3,4-tetrahydronaphthalen-2-yl)oxy]acetate
PubChem CID69202865
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Nametert-butyl 2-[(3-amino-1,2,3,4-tetrahydronaphthalen-2-yl)oxy]acetate
SMILESCC(C)(C)OC(=O)COC1Cc2ccccc2CC1N
InChIInChI=1S/C16H23NO3/c1-16(2,3)20-15(18)10-19-14-9-12-7-5-4-6-11(12)8-13(14)17/h4-7,13-14H,8-10,17H2,1-3H3
InChIKeyRJDYQHCVBHDESD-UHFFFAOYSA-N
XLogP1.84
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(3-amino-1,2,3,4-tetrahydronaphthalen-2-yl)oxy]acetate?
The IUPAC name of tert-butyl 2-[(3-amino-1,2,3,4-tetrahydronaphthalen-2-yl)oxy]acetate (CID 69202865) is tert-butyl 2-[(3-amino-1,2,3,4-tetrahydronaphthalen-2-yl)oxy]acetate.
What is the SMILES notation for tert-butyl 2-[(3-amino-1,2,3,4-tetrahydronaphthalen-2-yl)oxy]acetate?
The canonical SMILES for tert-butyl 2-[(3-amino-1,2,3,4-tetrahydronaphthalen-2-yl)oxy]acetate is CC(C)(C)OC(=O)COC1Cc2ccccc2CC1N.
What is the InChIKey of tert-butyl 2-[(3-amino-1,2,3,4-tetrahydronaphthalen-2-yl)oxy]acetate?
The InChIKey is RJDYQHCVBHDESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-16(2,3)20-15(18)10-19-14-9-12-7-5-4-6-11(12)8-13(14)17/h4-7,13-14H,8-10,17H2,1-3H3.
What are the key properties of tert-butyl 2-[(3-amino-1,2,3,4-tetrahydronaphthalen-2-yl)oxy]acetate?
tert-butyl 2-[(3-amino-1,2,3,4-tetrahydronaphthalen-2-yl)oxy]acetate has a molecular weight of 277.36 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(3-amino-1,2,3,4-tetrahydronaphthalen-2-yl)oxy]acetate is sourced from PubChem (CID 69202865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).