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

C12H18ClNO4 — CID 171246679

IUPACmethyl (3R)-3-amino-3-(2,4-dimethoxyphenyl)propanoate;hydrochloride
SMILESCOC(=O)C[C@@H](N)c1ccc(OC)cc1OC.Cl
InChIInChI=1S/C12H17NO4.ClH/c1-15-8-4-5-9(11(6-8)16-2)10(13)7-12(14)17-3;/h4-6,10H,7,13H2,1-3H3;1H/t10-;/m1./s1
InChIKeyXORPVQCFWRRHLK-HNCPQSOCSA-N
MW275.73 g/mol
LogP1.69
Rot. Bonds5

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

methyl (3R)-3-amino-3-(2,4-dimethoxyphenyl)propanoate;hydrochloride (PubChem CID 171246679) has the molecular formula C12H18ClNO4 and a molecular weight of 275.73 g/mol. Its IUPAC name is methyl (3R)-3-amino-3-(2,4-dimethoxyphenyl)propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl (3R)-3-amino-3-(2,4-dimethoxyphenyl)propanoate;hydrochloride
PubChem CID171246679
Molecular FormulaC12H18ClNO4
Molecular Weight275.73 g/mol
Exact Mass275.09
IUPAC Namemethyl (3R)-3-amino-3-(2,4-dimethoxyphenyl)propanoate;hydrochloride
SMILESCOC(=O)C[C@@H](N)c1ccc(OC)cc1OC.Cl
InChIInChI=1S/C12H17NO4.ClH/c1-15-8-4-5-9(11(6-8)16-2)10(13)7-12(14)17-3;/h4-6,10H,7,13H2,1-3H3;1H/t10-;/m1./s1
InChIKeyXORPVQCFWRRHLK-HNCPQSOCSA-N
XLogP1.69
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.73
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (3R)-3-amino-3-(2,4-dimethoxyphenyl)propanoate;hydrochloride
CID 171201109
4-amino-4-(2,4-dimethoxyphenyl)butan-2-one
CID 116940526
3-amino-3-(2,4-dimethoxyphenyl)propanamide
CID 23366621
methyl (3S)-3-amino-3-(4-fluoro-2-methoxyphenyl)propanoate
CID 171243535
methyl (3R)-3-amino-3-(2,4,6-trimethoxyphenyl)propanoate;hydrochloride
CID 171246661
2-amino-2-(2,4-dimethoxyphenyl)ethanol;hydrochloride
CID 162344444
2-chloro-1-(2,4-dimethoxyphenyl)ethanamine
CID 116937529
(1S)-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201072
methyl 3-amino-3-(4-methoxynaphthalen-1-yl)propanoate;hydrochloride
CID 2945069
methyl (3S)-3-amino-3-(4-methoxynaphthalen-1-yl)propanoate;hydrochloride
CID 171245129
ethyl (3S)-3-amino-3-(2-bromo-5-methoxyphenyl)propanoate;hydrochloride
CID 171224445
methyl (3R)-3-amino-3-(2-hydroxy-4,6-dimethoxyphenyl)propanoate;hydrochloride
CID 171248754

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-amino-3-(2,4-dimethoxyphenyl)propanoate;hydrochloride?
The IUPAC name of methyl (3R)-3-amino-3-(2,4-dimethoxyphenyl)propanoate;hydrochloride (CID 171246679) is methyl (3R)-3-amino-3-(2,4-dimethoxyphenyl)propanoate;hydrochloride.
What is the SMILES notation for methyl (3R)-3-amino-3-(2,4-dimethoxyphenyl)propanoate;hydrochloride?
The canonical SMILES for methyl (3R)-3-amino-3-(2,4-dimethoxyphenyl)propanoate;hydrochloride is COC(=O)C[C@@H](N)c1ccc(OC)cc1OC.Cl.
What is the InChIKey of methyl (3R)-3-amino-3-(2,4-dimethoxyphenyl)propanoate;hydrochloride?
The InChIKey is XORPVQCFWRRHLK-HNCPQSOCSA-N. The full InChI is InChI=1S/C12H17NO4.ClH/c1-15-8-4-5-9(11(6-8)16-2)10(13)7-12(14)17-3;/h4-6,10H,7,13H2,1-3H3;1H/t10-;/m1./s1.
What are the key properties of methyl (3R)-3-amino-3-(2,4-dimethoxyphenyl)propanoate;hydrochloride?
methyl (3R)-3-amino-3-(2,4-dimethoxyphenyl)propanoate;hydrochloride has a molecular weight of 275.73 g/mol, XLogP of 1.69, 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-(2,4-dimethoxyphenyl)propanoate;hydrochloride is sourced from PubChem (CID 171246679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).