methyl (3S)-3-amino-3-(4-methoxynaphthalen-1-yl)propanoate;hydrochloride

C15H18ClNO3 — CID 171245129

IUPACmethyl (3S)-3-amino-3-(4-methoxynaphthalen-1-yl)propanoate;hydrochloride
SMILESCOC(=O)C[C@H](N)c1ccc(OC)c2ccccc12.Cl
InChIInChI=1S/C15H17NO3.ClH/c1-18-14-8-7-11(13(16)9-15(17)19-2)10-5-3-4-6-12(10)14;/h3-8,13H,9,16H2,1-2H3;1H/t13-;/m0./s1
InChIKeyRZPBHBYSNBUYJL-ZOWNYOTGSA-N
MW295.77 g/mol
LogP2.83
Rot. Bonds4

About methyl (3S)-3-amino-3-(4-methoxynaphthalen-1-yl)propanoate;hydrochloride

methyl (3S)-3-amino-3-(4-methoxynaphthalen-1-yl)propanoate;hydrochloride (PubChem CID 171245129) has the molecular formula C15H18ClNO3 and a molecular weight of 295.77 g/mol. Its IUPAC name is methyl (3S)-3-amino-3-(4-methoxynaphthalen-1-yl)propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl (3S)-3-amino-3-(4-methoxynaphthalen-1-yl)propanoate;hydrochloride
PubChem CID171245129
Molecular FormulaC15H18ClNO3
Molecular Weight295.77 g/mol
Exact Mass295.10
IUPAC Namemethyl (3S)-3-amino-3-(4-methoxynaphthalen-1-yl)propanoate;hydrochloride
SMILESCOC(=O)C[C@H](N)c1ccc(OC)c2ccccc12.Cl
InChIInChI=1S/C15H17NO3.ClH/c1-18-14-8-7-11(13(16)9-15(17)19-2)10-5-3-4-6-12(10)14;/h3-8,13H,9,16H2,1-2H3;1H/t13-;/m0./s1
InChIKeyRZPBHBYSNBUYJL-ZOWNYOTGSA-N
XLogP2.83
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-amino-3-(4-methoxynaphthalen-1-yl)propanoate;hydrochloride
CID 2945069
ethyl 3-amino-3-(4-methoxynaphthalen-1-yl)propanoate;hydrochloride
CID 2945823
methyl (3S)-3-amino-3-(4-methylnaphthalen-1-yl)propanoate
CID 171242625
methyl (3R)-3-amino-3-(2,3-dimethoxyphenyl)propanoate
CID 7175981
methyl 2-amino-2-(4-methoxynaphthalen-1-yl)acetate
CID 79016866
methyl (3S)-3-amino-3-(2-methoxynaphthalen-1-yl)propanoate
CID 61150374
(1R)-1-(4-methoxynaphthalen-1-yl)-3-methylbutan-1-amine;hydrochloride
CID 171213236
methyl (3S)-3-amino-3-(2-hydroxy-3-methoxyphenyl)propanoate;hydrochloride
CID 171243705
methyl (3R)-3-amino-3-(2,4-dimethoxyphenyl)propanoate;hydrochloride
CID 171246679
(1S)-1-(4-methoxynaphthalen-1-yl)but-3-en-1-amine
CID 171232852
ethyl (3S)-3-amino-3-(2-methoxyphenyl)propanoate;hydrochloride
CID 171220006
methyl (3R)-3-amino-3-(2-iodophenyl)propanoate;hydrochloride
CID 171249924

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-3-amino-3-(4-methoxynaphthalen-1-yl)propanoate;hydrochloride?
The IUPAC name of methyl (3S)-3-amino-3-(4-methoxynaphthalen-1-yl)propanoate;hydrochloride (CID 171245129) is methyl (3S)-3-amino-3-(4-methoxynaphthalen-1-yl)propanoate;hydrochloride.
What is the SMILES notation for methyl (3S)-3-amino-3-(4-methoxynaphthalen-1-yl)propanoate;hydrochloride?
The canonical SMILES for methyl (3S)-3-amino-3-(4-methoxynaphthalen-1-yl)propanoate;hydrochloride is COC(=O)C[C@H](N)c1ccc(OC)c2ccccc12.Cl.
What is the InChIKey of methyl (3S)-3-amino-3-(4-methoxynaphthalen-1-yl)propanoate;hydrochloride?
The InChIKey is RZPBHBYSNBUYJL-ZOWNYOTGSA-N. The full InChI is InChI=1S/C15H17NO3.ClH/c1-18-14-8-7-11(13(16)9-15(17)19-2)10-5-3-4-6-12(10)14;/h3-8,13H,9,16H2,1-2H3;1H/t13-;/m0./s1.
What are the key properties of methyl (3S)-3-amino-3-(4-methoxynaphthalen-1-yl)propanoate;hydrochloride?
methyl (3S)-3-amino-3-(4-methoxynaphthalen-1-yl)propanoate;hydrochloride has a molecular weight of 295.77 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-3-amino-3-(4-methoxynaphthalen-1-yl)propanoate;hydrochloride is sourced from PubChem (CID 171245129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).