methyl (3R)-3-amino-3-(3-ethoxyphenyl)propanoate;hydrochloride

C12H18ClNO3 — CID 171248203

IUPACmethyl (3R)-3-amino-3-(3-ethoxyphenyl)propanoate;hydrochloride
SMILESCCOc1cccc([C@H](N)CC(=O)OC)c1.Cl
InChIInChI=1S/C12H17NO3.ClH/c1-3-16-10-6-4-5-9(7-10)11(13)8-12(14)15-2;/h4-7,11H,3,8,13H2,1-2H3;1H/t11-;/m1./s1
InChIKeyHVEYQCUXSWMNHU-RFVHGSKJSA-N
MW259.73 g/mol
LogP2.07
Rot. Bonds5

About methyl (3R)-3-amino-3-(3-ethoxyphenyl)propanoate;hydrochloride

methyl (3R)-3-amino-3-(3-ethoxyphenyl)propanoate;hydrochloride (PubChem CID 171248203) has the molecular formula C12H18ClNO3 and a molecular weight of 259.73 g/mol. Its IUPAC name is methyl (3R)-3-amino-3-(3-ethoxyphenyl)propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl (3R)-3-amino-3-(3-ethoxyphenyl)propanoate;hydrochloride
PubChem CID171248203
Molecular FormulaC12H18ClNO3
Molecular Weight259.73 g/mol
Exact Mass259.10
IUPAC Namemethyl (3R)-3-amino-3-(3-ethoxyphenyl)propanoate;hydrochloride
SMILESCCOc1cccc([C@H](N)CC(=O)OC)c1.Cl
InChIInChI=1S/C12H17NO3.ClH/c1-3-16-10-6-4-5-9(7-10)11(13)8-12(14)15-2;/h4-7,11H,3,8,13H2,1-2H3;1H/t11-;/m1./s1
InChIKeyHVEYQCUXSWMNHU-RFVHGSKJSA-N
XLogP2.07
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.73
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-3-(3-ethoxyphenyl)-N-ethylpropanamide
CID 112508347
methyl (3R)-3-amino-3-(4-ethoxyphenyl)propanoate;hydrochloride
CID 171246532
methyl 3-(3-ethoxyphenyl)-3-(methylamino)propanoate
CID 65235293
methyl (2S)-2-amino-2-(3-ethoxyphenyl)acetate;hydrochloride
CID 171205678
methyl (3S)-3-amino-3-[3-(trifluoromethoxy)phenyl]propanoate;hydrochloride
CID 171243091
methyl 2-amino-2-(3-ethoxyphenyl)acetate
CID 60874468
(1R)-1-(3-ethoxyphenyl)-2-fluoroethanamine;hydrochloride
CID 171225210
methyl (3S)-3-amino-3-(3-fluorophenyl)propanoate
CID 7277827
ethane;methyl 3-amino-3-(3-methylphenyl)propanoate
CID 143672007
ethyl 3-(3-ethoxyphenyl)-3-(methylamino)propanoate
CID 65236327
ethyl (3R)-3-amino-3-[3-(difluoromethoxy)phenyl]propanoate
CID 171206155
ethyl (3S)-3-amino-3-[3-(trifluoromethoxy)phenyl]propanoate;hydrochloride
CID 171229816

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-amino-3-(3-ethoxyphenyl)propanoate;hydrochloride?
The IUPAC name of methyl (3R)-3-amino-3-(3-ethoxyphenyl)propanoate;hydrochloride (CID 171248203) is methyl (3R)-3-amino-3-(3-ethoxyphenyl)propanoate;hydrochloride.
What is the SMILES notation for methyl (3R)-3-amino-3-(3-ethoxyphenyl)propanoate;hydrochloride?
The canonical SMILES for methyl (3R)-3-amino-3-(3-ethoxyphenyl)propanoate;hydrochloride is CCOc1cccc([C@H](N)CC(=O)OC)c1.Cl.
What is the InChIKey of methyl (3R)-3-amino-3-(3-ethoxyphenyl)propanoate;hydrochloride?
The InChIKey is HVEYQCUXSWMNHU-RFVHGSKJSA-N. The full InChI is InChI=1S/C12H17NO3.ClH/c1-3-16-10-6-4-5-9(7-10)11(13)8-12(14)15-2;/h4-7,11H,3,8,13H2,1-2H3;1H/t11-;/m1./s1.
What are the key properties of methyl (3R)-3-amino-3-(3-ethoxyphenyl)propanoate;hydrochloride?
methyl (3R)-3-amino-3-(3-ethoxyphenyl)propanoate;hydrochloride has a molecular weight of 259.73 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-amino-3-(3-ethoxyphenyl)propanoate;hydrochloride is sourced from PubChem (CID 171248203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).