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

C13H20ClNO5 — CID 171246661

IUPACmethyl (3R)-3-amino-3-(2,4,6-trimethoxyphenyl)propanoate;hydrochloride
SMILESCOC(=O)C[C@@H](N)c1c(OC)cc(OC)cc1OC.Cl
InChIInChI=1S/C13H19NO5.ClH/c1-16-8-5-10(17-2)13(11(6-8)18-3)9(14)7-12(15)19-4;/h5-6,9H,7,14H2,1-4H3;1H/t9-;/m1./s1
InChIKeyVQZDGAIPGYVTRF-SBSPUUFOSA-N
MW305.76 g/mol
LogP1.70
Rot. Bonds6

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

methyl (3R)-3-amino-3-(2,4,6-trimethoxyphenyl)propanoate;hydrochloride (PubChem CID 171246661) has the molecular formula C13H20ClNO5 and a molecular weight of 305.76 g/mol. Its IUPAC name is methyl (3R)-3-amino-3-(2,4,6-trimethoxyphenyl)propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl (3R)-3-amino-3-(2,4,6-trimethoxyphenyl)propanoate;hydrochloride
PubChem CID171246661
Molecular FormulaC13H20ClNO5
Molecular Weight305.76 g/mol
Exact Mass305.10
IUPAC Namemethyl (3R)-3-amino-3-(2,4,6-trimethoxyphenyl)propanoate;hydrochloride
SMILESCOC(=O)C[C@@H](N)c1c(OC)cc(OC)cc1OC.Cl
InChIInChI=1S/C13H19NO5.ClH/c1-16-8-5-10(17-2)13(11(6-8)18-3)9(14)7-12(15)19-4;/h5-6,9H,7,14H2,1-4H3;1H/t9-;/m1./s1
InChIKeyVQZDGAIPGYVTRF-SBSPUUFOSA-N
XLogP1.70
TPSA80.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl (3R)-3-amino-3-(2-hydroxy-4,6-dimethoxyphenyl)propanoate;hydrochloride
CID 171248754
methyl (3R)-3-amino-3-(2,6-dimethoxy-4-methylphenyl)propanoate;hydrochloride
CID 171251668
methyl (3R)-3-amino-3-(2,4-dimethoxyphenyl)propanoate;hydrochloride
CID 171246679
methyl 4-amino-3-(2,4,6-trimethoxyphenyl)butanoate
CID 66096615
(1S)-1-(2,4,6-trimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201024
methyl 3-amino-3-(4-methoxy-2,3,6-trimethylphenyl)propanoate
CID 116940176
5-amino-5-(2,4,6-trimethoxyphenyl)pentanamide
CID 60860649
(4R)-4-amino-4-(2,4,6-trimethoxyphenyl)butanoic acid
CID 28744321
(4S)-4-amino-4-(2,4,6-trimethoxyphenyl)butanoic acid
CID 28744319
methyl 2-amino-2-(2,4,6-trimethoxyphenyl)acetate
CID 14604184
(1R)-1-(2,4,6-trimethoxyphenyl)propane-1,3-diamine;hydrochloride
CID 171201026
methyl (3S)-3-amino-3-(3-bromo-2-hydroxy-5-methoxyphenyl)propanoate;hydrochloride
CID 171254310

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-amino-3-(2,4,6-trimethoxyphenyl)propanoate;hydrochloride?
The IUPAC name of methyl (3R)-3-amino-3-(2,4,6-trimethoxyphenyl)propanoate;hydrochloride (CID 171246661) is methyl (3R)-3-amino-3-(2,4,6-trimethoxyphenyl)propanoate;hydrochloride.
What is the SMILES notation for methyl (3R)-3-amino-3-(2,4,6-trimethoxyphenyl)propanoate;hydrochloride?
The canonical SMILES for methyl (3R)-3-amino-3-(2,4,6-trimethoxyphenyl)propanoate;hydrochloride is COC(=O)C[C@@H](N)c1c(OC)cc(OC)cc1OC.Cl.
What is the InChIKey of methyl (3R)-3-amino-3-(2,4,6-trimethoxyphenyl)propanoate;hydrochloride?
The InChIKey is VQZDGAIPGYVTRF-SBSPUUFOSA-N. The full InChI is InChI=1S/C13H19NO5.ClH/c1-16-8-5-10(17-2)13(11(6-8)18-3)9(14)7-12(15)19-4;/h5-6,9H,7,14H2,1-4H3;1H/t9-;/m1./s1.
What are the key properties of methyl (3R)-3-amino-3-(2,4,6-trimethoxyphenyl)propanoate;hydrochloride?
methyl (3R)-3-amino-3-(2,4,6-trimethoxyphenyl)propanoate;hydrochloride has a molecular weight of 305.76 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-amino-3-(2,4,6-trimethoxyphenyl)propanoate;hydrochloride is sourced from PubChem (CID 171246661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).