methyl (2S)-2-amino-2-(2-ethoxynaphthalen-1-yl)acetate

C15H17NO3 — CID 171213419

IUPACmethyl (2S)-2-amino-2-(2-ethoxynaphthalen-1-yl)acetate
SMILESCCOc1ccc2ccccc2c1[C@H](N)C(=O)OC
InChIInChI=1S/C15H17NO3/c1-3-19-12-9-8-10-6-4-5-7-11(10)13(12)14(16)15(17)18-2/h4-9,14H,3,16H2,1-2H3/t14-/m0/s1
InChIKeyURNGIGDKMYOBKK-AWEZNQCLSA-N
MW259.31 g/mol
LogP2.41
Rot. Bonds4

About methyl (2S)-2-amino-2-(2-ethoxynaphthalen-1-yl)acetate

methyl (2S)-2-amino-2-(2-ethoxynaphthalen-1-yl)acetate (PubChem CID 171213419) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is methyl (2S)-2-amino-2-(2-ethoxynaphthalen-1-yl)acetate.

Molecular Properties

Compound Namemethyl (2S)-2-amino-2-(2-ethoxynaphthalen-1-yl)acetate
PubChem CID171213419
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Namemethyl (2S)-2-amino-2-(2-ethoxynaphthalen-1-yl)acetate
SMILESCCOc1ccc2ccccc2c1[C@H](N)C(=O)OC
InChIInChI=1S/C15H17NO3/c1-3-19-12-9-8-10-6-4-5-7-11(10)13(12)14(16)15(17)18-2/h4-9,14H,3,16H2,1-2H3/t14-/m0/s1
InChIKeyURNGIGDKMYOBKK-AWEZNQCLSA-N
XLogP2.41
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (3S)-3-amino-3-(2-ethoxynaphthalen-1-yl)-2-fluoropropanoate
CID 171250846
1-(2-ethoxynaphthalen-1-yl)propan-1-amine
CID 82263032
(1S)-1-(2-ethoxynaphthalen-1-yl)propan-1-amine
CID 95420558
1-(2-ethoxynaphthalen-1-yl)-1-hydroxypropan-2-one
CID 142273790
(1R)-1-(2-ethoxynaphthalen-1-yl)propan-1-amine;hydrochloride
CID 171213379
(1S)-1-(2-ethoxynaphthalen-1-yl)ethanol
CID 95420561
(3R)-3-amino-3-(2-ethoxynaphthalen-1-yl)propan-1-ol;hydrochloride
CID 171213425
ethyl (3R)-3-amino-3-(2-ethoxynaphthalen-1-yl)-2,2-difluoropropanoate;hydrochloride
CID 171244101
(1S)-1-(2-ethoxynaphthalen-1-yl)-2,2,2-trifluoroethanamine
CID 66512251
(1R)-1-(2-ethoxynaphthalen-1-yl)-3-methylbutan-1-amine
CID 171213389
(1R)-1-(2-ethoxynaphthalen-1-yl)propane-1,3-diamine;hydrochloride
CID 171213373
(1R)-1-(2-ethoxynaphthalen-1-yl)-2,2,2-trifluoroethanamine
CID 66512241

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-amino-2-(2-ethoxynaphthalen-1-yl)acetate?
The IUPAC name of methyl (2S)-2-amino-2-(2-ethoxynaphthalen-1-yl)acetate (CID 171213419) is methyl (2S)-2-amino-2-(2-ethoxynaphthalen-1-yl)acetate.
What is the SMILES notation for methyl (2S)-2-amino-2-(2-ethoxynaphthalen-1-yl)acetate?
The canonical SMILES for methyl (2S)-2-amino-2-(2-ethoxynaphthalen-1-yl)acetate is CCOc1ccc2ccccc2c1[C@H](N)C(=O)OC.
What is the InChIKey of methyl (2S)-2-amino-2-(2-ethoxynaphthalen-1-yl)acetate?
The InChIKey is URNGIGDKMYOBKK-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H17NO3/c1-3-19-12-9-8-10-6-4-5-7-11(10)13(12)14(16)15(17)18-2/h4-9,14H,3,16H2,1-2H3/t14-/m0/s1.
What are the key properties of methyl (2S)-2-amino-2-(2-ethoxynaphthalen-1-yl)acetate?
methyl (2S)-2-amino-2-(2-ethoxynaphthalen-1-yl)acetate has a molecular weight of 259.31 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-amino-2-(2-ethoxynaphthalen-1-yl)acetate is sourced from PubChem (CID 171213419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).