methyl (2R)-2-amino-2-(4-methoxy-2-methylphenyl)acetate;hydrochloride

C11H16ClNO3 — CID 171233443

IUPACmethyl (2R)-2-amino-2-(4-methoxy-2-methylphenyl)acetate;hydrochloride
SMILESCOC(=O)[C@H](N)c1ccc(OC)cc1C.Cl
InChIInChI=1S/C11H15NO3.ClH/c1-7-6-8(14-2)4-5-9(7)10(12)11(13)15-3;/h4-6,10H,12H2,1-3H3;1H/t10-;/m1./s1
InChIKeyREPCLCNMBRXFCW-HNCPQSOCSA-N
MW245.71 g/mol
LogP1.60
Rot. Bonds3

About methyl (2R)-2-amino-2-(4-methoxy-2-methylphenyl)acetate;hydrochloride

methyl (2R)-2-amino-2-(4-methoxy-2-methylphenyl)acetate;hydrochloride (PubChem CID 171233443) has the molecular formula C11H16ClNO3 and a molecular weight of 245.71 g/mol. Its IUPAC name is methyl (2R)-2-amino-2-(4-methoxy-2-methylphenyl)acetate;hydrochloride.

Molecular Properties

Compound Namemethyl (2R)-2-amino-2-(4-methoxy-2-methylphenyl)acetate;hydrochloride
PubChem CID171233443
Molecular FormulaC11H16ClNO3
Molecular Weight245.71 g/mol
Exact Mass245.08
IUPAC Namemethyl (2R)-2-amino-2-(4-methoxy-2-methylphenyl)acetate;hydrochloride
SMILESCOC(=O)[C@H](N)c1ccc(OC)cc1C.Cl
InChIInChI=1S/C11H15NO3.ClH/c1-7-6-8(14-2)4-5-9(7)10(12)11(13)15-3;/h4-6,10H,12H2,1-3H3;1H/t10-;/m1./s1
InChIKeyREPCLCNMBRXFCW-HNCPQSOCSA-N
XLogP1.60
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-2-amino-2-[4-methoxy-2-(trifluoromethyl)phenyl]acetate;hydrochloride
CID 171227758
ethyl (3R)-3-amino-2-fluoro-3-(4-methoxy-2-methylphenyl)propanoate;hydrochloride
CID 171244245
(1R)-1-(4-methoxy-2-methylphenyl)propan-1-amine;hydrochloride
CID 168719792
(1S)-1-(4-methoxy-2-methylphenyl)propan-1-amine;hydrochloride
CID 171233415
ethyl (3S)-3-amino-2-fluoro-3-(4-methoxy-2-methylphenyl)propanoate
CID 171250977
methyl (2S)-2-amino-2-(2-hydroxy-4-methylphenyl)acetate;hydrochloride
CID 171212426
methyl (2R)-2-amino-2-(3-methoxyphenyl)acetate;hydrochloride
CID 171219744
methyl 2-amino-2-(6-methoxynaphthalen-2-yl)acetate
CID 54022420
3-amino-2-(4-methoxy-2-methylphenyl)propanoic acid
CID 82612040
(4R)-4-amino-4-(4-methoxy-2-methylphenyl)butan-1-ol;hydrochloride
CID 171213822
2,3-dihydroxy-3-(4-methoxy-2-methylphenyl)propanoic acid
CID 170823897
[(2R,3R)-3-(4-methoxy-2-methylphenyl)butan-2-yl] (2S)-2-amino-3-methylbutanoate
CID 139473087

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-2-(4-methoxy-2-methylphenyl)acetate;hydrochloride?
The IUPAC name of methyl (2R)-2-amino-2-(4-methoxy-2-methylphenyl)acetate;hydrochloride (CID 171233443) is methyl (2R)-2-amino-2-(4-methoxy-2-methylphenyl)acetate;hydrochloride.
What is the SMILES notation for methyl (2R)-2-amino-2-(4-methoxy-2-methylphenyl)acetate;hydrochloride?
The canonical SMILES for methyl (2R)-2-amino-2-(4-methoxy-2-methylphenyl)acetate;hydrochloride is COC(=O)[C@H](N)c1ccc(OC)cc1C.Cl.
What is the InChIKey of methyl (2R)-2-amino-2-(4-methoxy-2-methylphenyl)acetate;hydrochloride?
The InChIKey is REPCLCNMBRXFCW-HNCPQSOCSA-N. The full InChI is InChI=1S/C11H15NO3.ClH/c1-7-6-8(14-2)4-5-9(7)10(12)11(13)15-3;/h4-6,10H,12H2,1-3H3;1H/t10-;/m1./s1.
What are the key properties of methyl (2R)-2-amino-2-(4-methoxy-2-methylphenyl)acetate;hydrochloride?
methyl (2R)-2-amino-2-(4-methoxy-2-methylphenyl)acetate;hydrochloride has a molecular weight of 245.71 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-2-(4-methoxy-2-methylphenyl)acetate;hydrochloride is sourced from PubChem (CID 171233443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).