methyl (2R)-2-amino-2-(2,3,4,5,6-pentamethylphenyl)acetate

C14H21NO2 — CID 171232982

IUPACmethyl (2R)-2-amino-2-(2,3,4,5,6-pentamethylphenyl)acetate
SMILESCOC(=O)[C@H](N)c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C14H21NO2/c1-7-8(2)10(4)12(11(5)9(7)3)13(15)14(16)17-6/h13H,15H2,1-6H3/t13-/m1/s1
InChIKeyDGTHXJXNBGTBLY-CYBMUJFWSA-N
MW235.33 g/mol
LogP2.40
Rot. Bonds2

About methyl (2R)-2-amino-2-(2,3,4,5,6-pentamethylphenyl)acetate

methyl (2R)-2-amino-2-(2,3,4,5,6-pentamethylphenyl)acetate (PubChem CID 171232982) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is methyl (2R)-2-amino-2-(2,3,4,5,6-pentamethylphenyl)acetate.

Molecular Properties

Compound Namemethyl (2R)-2-amino-2-(2,3,4,5,6-pentamethylphenyl)acetate
PubChem CID171232982
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Namemethyl (2R)-2-amino-2-(2,3,4,5,6-pentamethylphenyl)acetate
SMILESCOC(=O)[C@H](N)c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C14H21NO2/c1-7-8(2)10(4)12(11(5)9(7)3)13(15)14(16)17-6/h13H,15H2,1-6H3/t13-/m1/s1
InChIKeyDGTHXJXNBGTBLY-CYBMUJFWSA-N
XLogP2.40
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-amino-2-(4-methoxy-2,3,6-trimethylphenyl)acetate
CID 116856970
methyl 2-amino-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate
CID 131448183
methyl 2-amino-2-(5-methyl-3-oxo-1,2-oxazol-4-yl)acetate
CID 20624251
methyl 2-amino-2-(2,3,5,6-tetrafluorophenyl)acetate
CID 130143027
methyl (2R)-2-amino-2-(2,4,6-trihydroxyphenyl)acetate;hydrochloride
CID 171236695
methyl (2S)-2-amino-2-(2-chloro-6-methylphenyl)acetate
CID 130673957
methyl 2-amino-2-(2-chloro-6-methylphenyl)acetate
CID 130059706
methyl (2R)-2-amino-2-(3-amino-2-hydroxy-6-methylphenyl)acetate
CID 171253569
methyl (2S)-2-amino-2-(2-methyl-1H-indol-3-yl)acetate;hydrochloride
CID 171206867
methyl 2-amino-2-(2,4,6-trimethoxyphenyl)acetate
CID 14604184
methyl (2R)-2-amino-2-(2,3,5,6-tetrafluorophenyl)acetate;hydrochloride
CID 171230098
methyl (2S)-2-amino-2-(2-chloro-6-methylphenyl)acetate;hydrochloride
CID 171210746

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-2-(2,3,4,5,6-pentamethylphenyl)acetate?
The IUPAC name of methyl (2R)-2-amino-2-(2,3,4,5,6-pentamethylphenyl)acetate (CID 171232982) is methyl (2R)-2-amino-2-(2,3,4,5,6-pentamethylphenyl)acetate.
What is the SMILES notation for methyl (2R)-2-amino-2-(2,3,4,5,6-pentamethylphenyl)acetate?
The canonical SMILES for methyl (2R)-2-amino-2-(2,3,4,5,6-pentamethylphenyl)acetate is COC(=O)[C@H](N)c1c(C)c(C)c(C)c(C)c1C.
What is the InChIKey of methyl (2R)-2-amino-2-(2,3,4,5,6-pentamethylphenyl)acetate?
The InChIKey is DGTHXJXNBGTBLY-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H21NO2/c1-7-8(2)10(4)12(11(5)9(7)3)13(15)14(16)17-6/h13H,15H2,1-6H3/t13-/m1/s1.
What are the key properties of methyl (2R)-2-amino-2-(2,3,4,5,6-pentamethylphenyl)acetate?
methyl (2R)-2-amino-2-(2,3,4,5,6-pentamethylphenyl)acetate has a molecular weight of 235.33 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-2-(2,3,4,5,6-pentamethylphenyl)acetate is sourced from PubChem (CID 171232982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).