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

C10H13Cl2NO2 — CID 171210746

IUPACmethyl (2S)-2-amino-2-(2-chloro-6-methylphenyl)acetate;hydrochloride
SMILESCOC(=O)[C@@H](N)c1c(C)cccc1Cl.Cl
InChIInChI=1S/C10H12ClNO2.ClH/c1-6-4-3-5-7(11)8(6)9(12)10(13)14-2;/h3-5,9H,12H2,1-2H3;1H/t9-;/m0./s1
InChIKeyDJUNQBPICBBNAV-FVGYRXGTSA-N
MW250.12 g/mol
LogP2.24
Rot. Bonds2

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

methyl (2S)-2-amino-2-(2-chloro-6-methylphenyl)acetate;hydrochloride (PubChem CID 171210746) has the molecular formula C10H13Cl2NO2 and a molecular weight of 250.12 g/mol. Its IUPAC name is methyl (2S)-2-amino-2-(2-chloro-6-methylphenyl)acetate;hydrochloride.

Molecular Properties

Compound Namemethyl (2S)-2-amino-2-(2-chloro-6-methylphenyl)acetate;hydrochloride
PubChem CID171210746
Molecular FormulaC10H13Cl2NO2
Molecular Weight250.12 g/mol
Exact Mass249.03
IUPAC Namemethyl (2S)-2-amino-2-(2-chloro-6-methylphenyl)acetate;hydrochloride
SMILESCOC(=O)[C@@H](N)c1c(C)cccc1Cl.Cl
InChIInChI=1S/C10H12ClNO2.ClH/c1-6-4-3-5-7(11)8(6)9(12)10(13)14-2;/h3-5,9H,12H2,1-2H3;1H/t9-;/m0./s1
InChIKeyDJUNQBPICBBNAV-FVGYRXGTSA-N
XLogP2.24
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.12
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-amino-2-(2-chloro-6-methylphenyl)acetate
CID 130673957
methyl 2-amino-2-(2-chloro-6-methylphenyl)acetate
CID 130059706
methyl 2-amino-2-(2-bromo-6-chlorophenyl)acetate
CID 131421509
methyl (2S)-2-amino-2-(6-chloro-2-fluoro-3-methylphenyl)acetate;hydrochloride
CID 171209172
methyl (2S)-2-amino-2-(3,6-dichloro-2-fluorophenyl)acetate
CID 131503024
methyl (2S)-2-amino-2-(2-chloro-6-fluoro-3-methylphenyl)acetate;hydrochloride
CID 171209713
methyl (2S)-2-amino-2-(3,5-dichloro-4-pyridinyl)acetate;hydrochloride
CID 171204681
(1S)-1-(2-chloro-6-methylphenyl)-2,2-difluoroethanamine;hydrochloride
CID 171250005
methyl (2R)-2-amino-2-(2-hydroxy-3-methylphenyl)acetate
CID 130649312
methyl (2R)-2-amino-2-(3-chloro-2,6-difluorophenyl)acetate;hydrochloride
CID 171228604
methyl (2S)-2-amino-2-(6-chloro-3-fluoro-2-hydroxyphenyl)acetate
CID 131423206
(2S)-2-amino-2-(2,6-dichlorophenyl)acetic acid;hydrochloride
CID 162344171

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-amino-2-(2-chloro-6-methylphenyl)acetate;hydrochloride?
The IUPAC name of methyl (2S)-2-amino-2-(2-chloro-6-methylphenyl)acetate;hydrochloride (CID 171210746) is methyl (2S)-2-amino-2-(2-chloro-6-methylphenyl)acetate;hydrochloride.
What is the SMILES notation for methyl (2S)-2-amino-2-(2-chloro-6-methylphenyl)acetate;hydrochloride?
The canonical SMILES for methyl (2S)-2-amino-2-(2-chloro-6-methylphenyl)acetate;hydrochloride is COC(=O)[C@@H](N)c1c(C)cccc1Cl.Cl.
What is the InChIKey of methyl (2S)-2-amino-2-(2-chloro-6-methylphenyl)acetate;hydrochloride?
The InChIKey is DJUNQBPICBBNAV-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H12ClNO2.ClH/c1-6-4-3-5-7(11)8(6)9(12)10(13)14-2;/h3-5,9H,12H2,1-2H3;1H/t9-;/m0./s1.
What are the key properties of methyl (2S)-2-amino-2-(2-chloro-6-methylphenyl)acetate;hydrochloride?
methyl (2S)-2-amino-2-(2-chloro-6-methylphenyl)acetate;hydrochloride has a molecular weight of 250.12 g/mol, XLogP of 2.24, 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-methylphenyl)acetate;hydrochloride is sourced from PubChem (CID 171210746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).