methyl 2-amino-3-(6-hydroxynaphthalen-2-yl)propanoate;hydrochloride

C14H16ClNO3 — CID 54768230

IUPACmethyl 2-amino-3-(6-hydroxynaphthalen-2-yl)propanoate;hydrochloride
SMILESCOC(=O)C(N)Cc1ccc2cc(O)ccc2c1.Cl
InChIInChI=1S/C14H15NO3.ClH/c1-18-14(17)13(15)7-9-2-3-11-8-12(16)5-4-10(11)6-9;/h2-6,8,13,16H,7,15H2,1H3;1H
InChIKeyJFMGXCIOKRVQQW-UHFFFAOYSA-N
MW281.74 g/mol
LogP2.01
Rot. Bonds3

About methyl 2-amino-3-(6-hydroxynaphthalen-2-yl)propanoate;hydrochloride

methyl 2-amino-3-(6-hydroxynaphthalen-2-yl)propanoate;hydrochloride (PubChem CID 54768230) has the molecular formula C14H16ClNO3 and a molecular weight of 281.74 g/mol. Its IUPAC name is methyl 2-amino-3-(6-hydroxynaphthalen-2-yl)propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-amino-3-(6-hydroxynaphthalen-2-yl)propanoate;hydrochloride
PubChem CID54768230
Molecular FormulaC14H16ClNO3
Molecular Weight281.74 g/mol
Exact Mass281.08
IUPAC Namemethyl 2-amino-3-(6-hydroxynaphthalen-2-yl)propanoate;hydrochloride
SMILESCOC(=O)C(N)Cc1ccc2cc(O)ccc2c1.Cl
InChIInChI=1S/C14H15NO3.ClH/c1-18-14(17)13(15)7-9-2-3-11-8-12(16)5-4-10(11)6-9;/h2-6,8,13,16H,7,15H2,1H3;1H
InChIKeyJFMGXCIOKRVQQW-UHFFFAOYSA-N
XLogP2.01
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-amino-3-(6-methoxynaphthalen-2-yl)propanoate
CID 171238349
methyl 2-amino-3-(4-hydroxyphenyl)propanoate
CID 144819630
methyl 2-amino-3-[6-(2,6-dichlorophenyl)naphthalen-2-yl]propanoate;hydrochloride
CID 69119079
methyl 2-amino-3-(4-hydroxy-3-iodophenyl)propanoate;hydrochloride
CID 19873283
methyl 2-amino-3-(4-methoxyphenyl)propanoate chloride
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methyl 2-amino-3-(3-amino-4-hydroxyphenyl)propanoate
CID 86019498
methyl 2-amino-3-(3,4-dichlorophenyl)propanoate;hydrochloride
CID 68772138
methyl 2-amino-3-(1-benzofuran-5-yl)propanoate
CID 170883536
methyl (2R)-2-amino-3-(3,4-dimethylphenyl)propanoate
CID 145416225
methyl 2-amino-3-(4-fluoro-3-hydroxyphenyl)propanoate
CID 77391788
methyl 2-amino-3-(3-bromo-4-hydroxyphenyl)propanoate
CID 86137905
methyl (2R)-2-amino-3-(4-methylphenyl)propanoate;hydrochloride
CID 54763157

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-(6-hydroxynaphthalen-2-yl)propanoate;hydrochloride?
The IUPAC name of methyl 2-amino-3-(6-hydroxynaphthalen-2-yl)propanoate;hydrochloride (CID 54768230) is methyl 2-amino-3-(6-hydroxynaphthalen-2-yl)propanoate;hydrochloride.
What is the SMILES notation for methyl 2-amino-3-(6-hydroxynaphthalen-2-yl)propanoate;hydrochloride?
The canonical SMILES for methyl 2-amino-3-(6-hydroxynaphthalen-2-yl)propanoate;hydrochloride is COC(=O)C(N)Cc1ccc2cc(O)ccc2c1.Cl.
What is the InChIKey of methyl 2-amino-3-(6-hydroxynaphthalen-2-yl)propanoate;hydrochloride?
The InChIKey is JFMGXCIOKRVQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3.ClH/c1-18-14(17)13(15)7-9-2-3-11-8-12(16)5-4-10(11)6-9;/h2-6,8,13,16H,7,15H2,1H3;1H.
What are the key properties of methyl 2-amino-3-(6-hydroxynaphthalen-2-yl)propanoate;hydrochloride?
methyl 2-amino-3-(6-hydroxynaphthalen-2-yl)propanoate;hydrochloride has a molecular weight of 281.74 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-(6-hydroxynaphthalen-2-yl)propanoate;hydrochloride is sourced from PubChem (CID 54768230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).