ethyl (3R)-3-amino-3-(2,4-dimethoxyphenyl)propanoate;hydrochloride

C13H20ClNO4 — CID 171201109

IUPACethyl (3R)-3-amino-3-(2,4-dimethoxyphenyl)propanoate;hydrochloride
SMILESCCOC(=O)C[C@@H](N)c1ccc(OC)cc1OC.Cl
InChIInChI=1S/C13H19NO4.ClH/c1-4-18-13(15)8-11(14)10-6-5-9(16-2)7-12(10)17-3;/h5-7,11H,4,8,14H2,1-3H3;1H/t11-;/m1./s1
InChIKeyOUUKLJSGTIUSIM-RFVHGSKJSA-N
MW289.76 g/mol
LogP2.08
Rot. Bonds6

About ethyl (3R)-3-amino-3-(2,4-dimethoxyphenyl)propanoate;hydrochloride

ethyl (3R)-3-amino-3-(2,4-dimethoxyphenyl)propanoate;hydrochloride (PubChem CID 171201109) has the molecular formula C13H20ClNO4 and a molecular weight of 289.76 g/mol. Its IUPAC name is ethyl (3R)-3-amino-3-(2,4-dimethoxyphenyl)propanoate;hydrochloride.

Molecular Properties

Compound Nameethyl (3R)-3-amino-3-(2,4-dimethoxyphenyl)propanoate;hydrochloride
PubChem CID171201109
Molecular FormulaC13H20ClNO4
Molecular Weight289.76 g/mol
Exact Mass289.11
IUPAC Nameethyl (3R)-3-amino-3-(2,4-dimethoxyphenyl)propanoate;hydrochloride
SMILESCCOC(=O)C[C@@H](N)c1ccc(OC)cc1OC.Cl
InChIInChI=1S/C13H19NO4.ClH/c1-4-18-13(15)8-11(14)10-6-5-9(16-2)7-12(10)17-3;/h5-7,11H,4,8,14H2,1-3H3;1H/t11-;/m1./s1
InChIKeyOUUKLJSGTIUSIM-RFVHGSKJSA-N
XLogP2.08
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (3R)-3-amino-3-(2,4-dimethoxyphenyl)propanoate;hydrochloride
CID 171246679
4-amino-4-(2,4-dimethoxyphenyl)butan-2-one
CID 116940526
3-amino-3-(2,4-dimethoxyphenyl)propanamide
CID 23366621
ethyl (3R)-3-amino-3-(4-bromo-2-methoxyphenyl)propanoate;hydrochloride
CID 171204821
ethyl (3S)-3-amino-3-(2-bromo-5-methoxyphenyl)propanoate;hydrochloride
CID 171224445
ethyl 3-amino-3-(2-ethyl-4-methoxyphenyl)propanoate
CID 5125045
ethyl (3S)-3-amino-3-(4-fluoro-2-methoxyphenyl)propanoate
CID 171224920
ethyl 3-amino-3-(2-fluoro-4-methoxyphenyl)propanoate
CID 165347738
ethyl (3S)-3-amino-3-(2-methoxyphenyl)propanoate;hydrochloride
CID 171220006
diethyl 2-(2,4-dimethoxyphenyl)propanedioate
CID 13193850
ethyl (3R)-3-amino-3-[4-methoxy-2-(trifluoromethyl)phenyl]propanoate
CID 171208180
2-amino-2-(2,4-dimethoxyphenyl)ethanol;hydrochloride
CID 162344444

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-3-amino-3-(2,4-dimethoxyphenyl)propanoate;hydrochloride?
The IUPAC name of ethyl (3R)-3-amino-3-(2,4-dimethoxyphenyl)propanoate;hydrochloride (CID 171201109) is ethyl (3R)-3-amino-3-(2,4-dimethoxyphenyl)propanoate;hydrochloride.
What is the SMILES notation for ethyl (3R)-3-amino-3-(2,4-dimethoxyphenyl)propanoate;hydrochloride?
The canonical SMILES for ethyl (3R)-3-amino-3-(2,4-dimethoxyphenyl)propanoate;hydrochloride is CCOC(=O)C[C@@H](N)c1ccc(OC)cc1OC.Cl.
What is the InChIKey of ethyl (3R)-3-amino-3-(2,4-dimethoxyphenyl)propanoate;hydrochloride?
The InChIKey is OUUKLJSGTIUSIM-RFVHGSKJSA-N. The full InChI is InChI=1S/C13H19NO4.ClH/c1-4-18-13(15)8-11(14)10-6-5-9(16-2)7-12(10)17-3;/h5-7,11H,4,8,14H2,1-3H3;1H/t11-;/m1./s1.
What are the key properties of ethyl (3R)-3-amino-3-(2,4-dimethoxyphenyl)propanoate;hydrochloride?
ethyl (3R)-3-amino-3-(2,4-dimethoxyphenyl)propanoate;hydrochloride has a molecular weight of 289.76 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-3-amino-3-(2,4-dimethoxyphenyl)propanoate;hydrochloride is sourced from PubChem (CID 171201109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).