methyl (3R)-3-amino-3-(2,6-dimethoxy-4-methylphenyl)propanoate;hydrochloride

C13H20ClNO4 — CID 171251668

IUPACmethyl (3R)-3-amino-3-(2,6-dimethoxy-4-methylphenyl)propanoate;hydrochloride
SMILESCOC(=O)C[C@@H](N)c1c(OC)cc(C)cc1OC.Cl
InChIInChI=1S/C13H19NO4.ClH/c1-8-5-10(16-2)13(11(6-8)17-3)9(14)7-12(15)18-4;/h5-6,9H,7,14H2,1-4H3;1H/t9-;/m1./s1
InChIKeyQTNBJTODMRHMRA-SBSPUUFOSA-N
MW289.76 g/mol
LogP2.00
Rot. Bonds5

About methyl (3R)-3-amino-3-(2,6-dimethoxy-4-methylphenyl)propanoate;hydrochloride

methyl (3R)-3-amino-3-(2,6-dimethoxy-4-methylphenyl)propanoate;hydrochloride (PubChem CID 171251668) has the molecular formula C13H20ClNO4 and a molecular weight of 289.76 g/mol. Its IUPAC name is methyl (3R)-3-amino-3-(2,6-dimethoxy-4-methylphenyl)propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl (3R)-3-amino-3-(2,6-dimethoxy-4-methylphenyl)propanoate;hydrochloride
PubChem CID171251668
Molecular FormulaC13H20ClNO4
Molecular Weight289.76 g/mol
Exact Mass289.11
IUPAC Namemethyl (3R)-3-amino-3-(2,6-dimethoxy-4-methylphenyl)propanoate;hydrochloride
SMILESCOC(=O)C[C@@H](N)c1c(OC)cc(C)cc1OC.Cl
InChIInChI=1S/C13H19NO4.ClH/c1-8-5-10(16-2)13(11(6-8)17-3)9(14)7-12(15)18-4;/h5-6,9H,7,14H2,1-4H3;1H/t9-;/m1./s1
InChIKeyQTNBJTODMRHMRA-SBSPUUFOSA-N
XLogP2.00
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (3R)-3-amino-3-(2,4,6-trimethoxyphenyl)propanoate;hydrochloride
CID 171246661
methyl (3R)-3-amino-3-(2-hydroxy-4,6-dimethoxyphenyl)propanoate;hydrochloride
CID 171248754
methyl 3-amino-3-(4-methoxy-2,3,6-trimethylphenyl)propanoate
CID 116940176
methyl (3R)-3-amino-3-(2,4-dimethoxyphenyl)propanoate;hydrochloride
CID 171246679
methyl (3R)-3-amino-3-(2-fluoro-6-methoxyphenyl)propanoate
CID 171249964
methyl (3R)-3-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoate
CID 171245774
methyl (3R)-3-amino-3-(2-bromo-4,5-dimethoxyphenyl)propanoate
CID 61149652
(1S)-1-(2,6-dimethoxy-4-methylphenyl)butan-1-amine;hydrochloride
CID 171235550
methyl 3-amino-3-(4-methoxy-3-methylphenyl)propanoate
CID 62132611
bis(methyl (3S)-3-amino-3-(3,4-dimethoxyphenyl)propanoate);bis(methyl (3R)-3-amino-3-(3,4-dimethoxyphenyl)propanoate)
CID 157337826
methyl (3S)-3-amino-3-(2-hydroxy-3-methoxyphenyl)propanoate;hydrochloride
CID 171243705
methyl (3S)-3-amino-3-(4-fluoro-2-methoxyphenyl)propanoate
CID 171243535

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-amino-3-(2,6-dimethoxy-4-methylphenyl)propanoate;hydrochloride?
The IUPAC name of methyl (3R)-3-amino-3-(2,6-dimethoxy-4-methylphenyl)propanoate;hydrochloride (CID 171251668) is methyl (3R)-3-amino-3-(2,6-dimethoxy-4-methylphenyl)propanoate;hydrochloride.
What is the SMILES notation for methyl (3R)-3-amino-3-(2,6-dimethoxy-4-methylphenyl)propanoate;hydrochloride?
The canonical SMILES for methyl (3R)-3-amino-3-(2,6-dimethoxy-4-methylphenyl)propanoate;hydrochloride is COC(=O)C[C@@H](N)c1c(OC)cc(C)cc1OC.Cl.
What is the InChIKey of methyl (3R)-3-amino-3-(2,6-dimethoxy-4-methylphenyl)propanoate;hydrochloride?
The InChIKey is QTNBJTODMRHMRA-SBSPUUFOSA-N. The full InChI is InChI=1S/C13H19NO4.ClH/c1-8-5-10(16-2)13(11(6-8)17-3)9(14)7-12(15)18-4;/h5-6,9H,7,14H2,1-4H3;1H/t9-;/m1./s1.
What are the key properties of methyl (3R)-3-amino-3-(2,6-dimethoxy-4-methylphenyl)propanoate;hydrochloride?
methyl (3R)-3-amino-3-(2,6-dimethoxy-4-methylphenyl)propanoate;hydrochloride has a molecular weight of 289.76 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-amino-3-(2,6-dimethoxy-4-methylphenyl)propanoate;hydrochloride is sourced from PubChem (CID 171251668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).