methyl (2S)-2-amino-2-(2-chloro-6-fluoro-3-methylphenyl)acetate;hydrochloride

C10H12Cl2FNO2 — CID 171209713

IUPACmethyl (2S)-2-amino-2-(2-chloro-6-fluoro-3-methylphenyl)acetate;hydrochloride
SMILESCOC(=O)[C@@H](N)c1c(F)ccc(C)c1Cl.Cl
InChIInChI=1S/C10H11ClFNO2.ClH/c1-5-3-4-6(12)7(8(5)11)9(13)10(14)15-2;/h3-4,9H,13H2,1-2H3;1H/t9-;/m0./s1
InChIKeyIDCZYDCEMXLQIP-FVGYRXGTSA-N
MW268.12 g/mol
LogP2.38
Rot. Bonds2

About methyl (2S)-2-amino-2-(2-chloro-6-fluoro-3-methylphenyl)acetate;hydrochloride

methyl (2S)-2-amino-2-(2-chloro-6-fluoro-3-methylphenyl)acetate;hydrochloride (PubChem CID 171209713) has the molecular formula C10H12Cl2FNO2 and a molecular weight of 268.12 g/mol. Its IUPAC name is methyl (2S)-2-amino-2-(2-chloro-6-fluoro-3-methylphenyl)acetate;hydrochloride.

Molecular Properties

Compound Namemethyl (2S)-2-amino-2-(2-chloro-6-fluoro-3-methylphenyl)acetate;hydrochloride
PubChem CID171209713
Molecular FormulaC10H12Cl2FNO2
Molecular Weight268.12 g/mol
Exact Mass267.02
IUPAC Namemethyl (2S)-2-amino-2-(2-chloro-6-fluoro-3-methylphenyl)acetate;hydrochloride
SMILESCOC(=O)[C@@H](N)c1c(F)ccc(C)c1Cl.Cl
InChIInChI=1S/C10H11ClFNO2.ClH/c1-5-3-4-6(12)7(8(5)11)9(13)10(14)15-2;/h3-4,9H,13H2,1-2H3;1H/t9-;/m0./s1
InChIKeyIDCZYDCEMXLQIP-FVGYRXGTSA-N
XLogP2.38
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.12
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R)-2-amino-2-(2-chloro-3,6-difluorophenyl)acetate
CID 131624648
methyl 2-(2-chloro-6-fluoro-3-methylphenyl)propanoate
CID 175668376
(2S)-2-amino-2-(2-chloro-6-fluoro-3-methylphenyl)acetic acid
CID 66512428
methyl (2R)-2-amino-2-(3-chloro-2,6-difluorophenyl)acetate;hydrochloride
CID 171228604
methyl (2S)-2-amino-2-(6-chloro-2-fluoro-3-methylphenyl)acetate;hydrochloride
CID 171209172
methyl (2S)-2-amino-2-(6-chloro-3-fluoro-2-hydroxyphenyl)acetate
CID 131423206
(2S)-2-amino-2-(2-chloro-6-fluoro-3-methylphenyl)ethanol;hydrochloride
CID 171209714
methyl (2S)-2-amino-2-(2-chloro-6-methylphenyl)acetate;hydrochloride
CID 171210746
methyl (2S)-2-amino-2-(3,6-dichloro-2-fluorophenyl)acetate
CID 131503024
methyl (2S)-2-amino-2-(2-fluoro-6-methoxyphenyl)acetate;hydrochloride
CID 171210665
methyl (2R)-2-amino-2-(2,3,5,6-tetrafluorophenyl)acetate;hydrochloride
CID 171230098
methyl (2S)-2-amino-2-(2-chloro-6-methylphenyl)acetate
CID 130673957

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-amino-2-(2-chloro-6-fluoro-3-methylphenyl)acetate;hydrochloride?
The IUPAC name of methyl (2S)-2-amino-2-(2-chloro-6-fluoro-3-methylphenyl)acetate;hydrochloride (CID 171209713) is methyl (2S)-2-amino-2-(2-chloro-6-fluoro-3-methylphenyl)acetate;hydrochloride.
What is the SMILES notation for methyl (2S)-2-amino-2-(2-chloro-6-fluoro-3-methylphenyl)acetate;hydrochloride?
The canonical SMILES for methyl (2S)-2-amino-2-(2-chloro-6-fluoro-3-methylphenyl)acetate;hydrochloride is COC(=O)[C@@H](N)c1c(F)ccc(C)c1Cl.Cl.
What is the InChIKey of methyl (2S)-2-amino-2-(2-chloro-6-fluoro-3-methylphenyl)acetate;hydrochloride?
The InChIKey is IDCZYDCEMXLQIP-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H11ClFNO2.ClH/c1-5-3-4-6(12)7(8(5)11)9(13)10(14)15-2;/h3-4,9H,13H2,1-2H3;1H/t9-;/m0./s1.
What are the key properties of methyl (2S)-2-amino-2-(2-chloro-6-fluoro-3-methylphenyl)acetate;hydrochloride?
methyl (2S)-2-amino-2-(2-chloro-6-fluoro-3-methylphenyl)acetate;hydrochloride has a molecular weight of 268.12 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-amino-2-(2-chloro-6-fluoro-3-methylphenyl)acetate;hydrochloride is sourced from PubChem (CID 171209713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).