methyl (2S)-2-amino-2-(2-fluoro-6-methoxyphenyl)acetate;hydrochloride

C10H13ClFNO3 — CID 171210665

IUPACmethyl (2S)-2-amino-2-(2-fluoro-6-methoxyphenyl)acetate;hydrochloride
SMILESCOC(=O)[C@@H](N)c1c(F)cccc1OC.Cl
InChIInChI=1S/C10H12FNO3.ClH/c1-14-7-5-3-4-6(11)8(7)9(12)10(13)15-2;/h3-5,9H,12H2,1-2H3;1H/t9-;/m0./s1
InChIKeyAZPJNZZOKWXKPI-FVGYRXGTSA-N
MW249.67 g/mol
LogP1.43
Rot. Bonds3

About methyl (2S)-2-amino-2-(2-fluoro-6-methoxyphenyl)acetate;hydrochloride

methyl (2S)-2-amino-2-(2-fluoro-6-methoxyphenyl)acetate;hydrochloride (PubChem CID 171210665) has the molecular formula C10H13ClFNO3 and a molecular weight of 249.67 g/mol. Its IUPAC name is methyl (2S)-2-amino-2-(2-fluoro-6-methoxyphenyl)acetate;hydrochloride.

Molecular Properties

Compound Namemethyl (2S)-2-amino-2-(2-fluoro-6-methoxyphenyl)acetate;hydrochloride
PubChem CID171210665
Molecular FormulaC10H13ClFNO3
Molecular Weight249.67 g/mol
Exact Mass249.06
IUPAC Namemethyl (2S)-2-amino-2-(2-fluoro-6-methoxyphenyl)acetate;hydrochloride
SMILESCOC(=O)[C@@H](N)c1c(F)cccc1OC.Cl
InChIInChI=1S/C10H12FNO3.ClH/c1-14-7-5-3-4-6(11)8(7)9(12)10(13)15-2;/h3-5,9H,12H2,1-2H3;1H/t9-;/m0./s1
InChIKeyAZPJNZZOKWXKPI-FVGYRXGTSA-N
XLogP1.43
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.67
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2-fluoro-6-methoxyphenyl)-2-hydroxyacetate
CID 117305035
(2R)-2-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119335139
methyl (3R)-3-amino-3-(2-fluoro-6-methoxyphenyl)propanoate
CID 171249964
3-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylbutanamide;hydrochloride
CID 120501620
methyl (2R)-2-amino-2-(2-fluoro-3-methoxyphenyl)acetate
CID 171225303
ethyl (3R)-3-amino-2-fluoro-3-(2-fluoro-6-methoxyphenyl)propanoate;hydrochloride
CID 171243248
(1S)-2-fluoro-1-(2-fluoro-6-methoxyphenyl)ethanamine;hydrochloride
CID 171210621
3-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119335125
ethyl 2-amino-2-(2,6-dimethoxyphenyl)acetate;hydrochloride
CID 121002575
(2S)-2-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 119803788
methyl 2-amino-3-(2-fluoro-6-methoxyphenyl)propanoate
CID 83810004
2-[1-(2-fluoro-6-methoxyphenyl)ethylamino]acetamide
CID 115901891

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-amino-2-(2-fluoro-6-methoxyphenyl)acetate;hydrochloride?
The IUPAC name of methyl (2S)-2-amino-2-(2-fluoro-6-methoxyphenyl)acetate;hydrochloride (CID 171210665) is methyl (2S)-2-amino-2-(2-fluoro-6-methoxyphenyl)acetate;hydrochloride.
What is the SMILES notation for methyl (2S)-2-amino-2-(2-fluoro-6-methoxyphenyl)acetate;hydrochloride?
The canonical SMILES for methyl (2S)-2-amino-2-(2-fluoro-6-methoxyphenyl)acetate;hydrochloride is COC(=O)[C@@H](N)c1c(F)cccc1OC.Cl.
What is the InChIKey of methyl (2S)-2-amino-2-(2-fluoro-6-methoxyphenyl)acetate;hydrochloride?
The InChIKey is AZPJNZZOKWXKPI-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H12FNO3.ClH/c1-14-7-5-3-4-6(11)8(7)9(12)10(13)15-2;/h3-5,9H,12H2,1-2H3;1H/t9-;/m0./s1.
What are the key properties of methyl (2S)-2-amino-2-(2-fluoro-6-methoxyphenyl)acetate;hydrochloride?
methyl (2S)-2-amino-2-(2-fluoro-6-methoxyphenyl)acetate;hydrochloride has a molecular weight of 249.67 g/mol, XLogP of 1.43, 3 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-fluoro-6-methoxyphenyl)acetate;hydrochloride is sourced from PubChem (CID 171210665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).