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

C10H12ClNO2 — CID 130673957

IUPACmethyl (2S)-2-amino-2-(2-chloro-6-methylphenyl)acetate
SMILESCOC(=O)[C@@H](N)c1c(C)cccc1Cl
InChIInChI=1S/C10H12ClNO2/c1-6-4-3-5-7(11)8(6)9(12)10(13)14-2/h3-5,9H,12H2,1-2H3/t9-/m0/s1
InChIKeyOXQBUGGSVASCQC-VIFPVBQESA-N
MW213.66 g/mol
LogP1.82
Rot. Bonds2

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

methyl (2S)-2-amino-2-(2-chloro-6-methylphenyl)acetate (PubChem CID 130673957) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is methyl (2S)-2-amino-2-(2-chloro-6-methylphenyl)acetate.

Molecular Properties

Compound Namemethyl (2S)-2-amino-2-(2-chloro-6-methylphenyl)acetate
PubChem CID130673957
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Namemethyl (2S)-2-amino-2-(2-chloro-6-methylphenyl)acetate
SMILESCOC(=O)[C@@H](N)c1c(C)cccc1Cl
InChIInChI=1S/C10H12ClNO2/c1-6-4-3-5-7(11)8(6)9(12)10(13)14-2/h3-5,9H,12H2,1-2H3/t9-/m0/s1
InChIKeyOXQBUGGSVASCQC-VIFPVBQESA-N
XLogP1.82
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-amino-2-(2-chloro-6-methylphenyl)acetate
CID 130059706
methyl (2S)-2-amino-2-(2-chloro-6-methylphenyl)acetate;hydrochloride
CID 171210746
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 (2R)-2-amino-2-(2-hydroxy-3-methylphenyl)acetate
CID 130649312
methyl (2S)-2-amino-2-(6-chloro-3-fluoro-2-hydroxyphenyl)acetate
CID 131423206
1-amino-1-(2-chloro-6-methylphenyl)propan-2-ol
CID 55270715
1-chloro-1-(2-chloro-6-methylphenyl)propan-2-one
CID 131029150
methyl 2-amino-2-(4-chloro-3-methylphenyl)acetate
CID 130059187
methyl (2R)-2-amino-2-(3-amino-2-hydroxy-6-methylphenyl)acetate
CID 171253569
methyl (2S)-2-amino-2-(2-chloro-6-fluoro-3-methylphenyl)acetate;hydrochloride
CID 171209713

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-amino-2-(2-chloro-6-methylphenyl)acetate?
The IUPAC name of methyl (2S)-2-amino-2-(2-chloro-6-methylphenyl)acetate (CID 130673957) is methyl (2S)-2-amino-2-(2-chloro-6-methylphenyl)acetate.
What is the SMILES notation for methyl (2S)-2-amino-2-(2-chloro-6-methylphenyl)acetate?
The canonical SMILES for methyl (2S)-2-amino-2-(2-chloro-6-methylphenyl)acetate is COC(=O)[C@@H](N)c1c(C)cccc1Cl.
What is the InChIKey of methyl (2S)-2-amino-2-(2-chloro-6-methylphenyl)acetate?
The InChIKey is OXQBUGGSVASCQC-VIFPVBQESA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-6-4-3-5-7(11)8(6)9(12)10(13)14-2/h3-5,9H,12H2,1-2H3/t9-/m0/s1.
What are the key properties of methyl (2S)-2-amino-2-(2-chloro-6-methylphenyl)acetate?
methyl (2S)-2-amino-2-(2-chloro-6-methylphenyl)acetate has a molecular weight of 213.66 g/mol, XLogP of 1.82, 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 is sourced from PubChem (CID 130673957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).