naphthalen-1-ylmethyl (2S)-2-amino-3-phenylpropanoate;hydrochloride

C20H20ClNO2 — CID 141427624

IUPACnaphthalen-1-ylmethyl (2S)-2-amino-3-phenylpropanoate;hydrochloride
SMILESCl.N[C@@H](Cc1ccccc1)C(=O)OCc1cccc2ccccc12
InChIInChI=1S/C20H19NO2.ClH/c21-19(13-15-7-2-1-3-8-15)20(22)23-14-17-11-6-10-16-9-4-5-12-18(16)17;/h1-12,19H,13-14,21H2;1H/t19-;/m0./s1
InChIKeyRROJAFZWZKOIPG-FYZYNONXSA-N
MW341.84 g/mol
LogP3.87
Rot. Bonds5

About naphthalen-1-ylmethyl (2S)-2-amino-3-phenylpropanoate;hydrochloride

naphthalen-1-ylmethyl (2S)-2-amino-3-phenylpropanoate;hydrochloride (PubChem CID 141427624) has the molecular formula C20H20ClNO2 and a molecular weight of 341.84 g/mol. Its IUPAC name is naphthalen-1-ylmethyl (2S)-2-amino-3-phenylpropanoate;hydrochloride.

Molecular Properties

Compound Namenaphthalen-1-ylmethyl (2S)-2-amino-3-phenylpropanoate;hydrochloride
PubChem CID141427624
Molecular FormulaC20H20ClNO2
Molecular Weight341.84 g/mol
Exact Mass341.12
IUPAC Namenaphthalen-1-ylmethyl (2S)-2-amino-3-phenylpropanoate;hydrochloride
SMILESCl.N[C@@H](Cc1ccccc1)C(=O)OCc1cccc2ccccc12
InChIInChI=1S/C20H19NO2.ClH/c21-19(13-15-7-2-1-3-8-15)20(22)23-14-17-11-6-10-16-9-4-5-12-18(16)17;/h1-12,19H,13-14,21H2;1H/t19-;/m0./s1
InChIKeyRROJAFZWZKOIPG-FYZYNONXSA-N
XLogP3.87
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[[(2R)-2-amino-3-phenylpropanoyl]oxymethyl]phenyl]methyl (2R)-2-amino-3-phenylpropanoate
CID 102020431
(3,5-dimethylphenyl)methyl (2S)-2-amino-3-naphthalen-1-ylpropanoate
CID 10314783
(3-aminophenyl)methyl (2S)-2-amino-3-phenylpropanoate
CID 57184101
benzyl (2S)-2-amino-3-(4-methylphenyl)propanoate;hydrochloride
CID 139716246
ethyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 141026874
methyl (2S)-2-amino-3-naphthalen-1-ylpropanoate
CID 18714238
(4-methoxyphenyl)methyl 2-amino-3-phenylpropanoate
CID 14760384
3-amino-4-naphthalen-1-ylbutan-2-one
CID 90132705
3-[(2S)-2-amino-3-phenylpropanoyl]oxypropyl (2S)-2-amino-3-phenylpropanoate
CID 100951987
methyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 174427349
benzyl (2S)-2-amino-3-(3-fluorophenyl)propanoate;hydrochloride
CID 90281947
benzyl (2S)-2-amino-3-(4-naphthalen-2-ylphenyl)propanoate
CID 54235669

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-ylmethyl (2S)-2-amino-3-phenylpropanoate;hydrochloride?
The IUPAC name of naphthalen-1-ylmethyl (2S)-2-amino-3-phenylpropanoate;hydrochloride (CID 141427624) is naphthalen-1-ylmethyl (2S)-2-amino-3-phenylpropanoate;hydrochloride.
What is the SMILES notation for naphthalen-1-ylmethyl (2S)-2-amino-3-phenylpropanoate;hydrochloride?
The canonical SMILES for naphthalen-1-ylmethyl (2S)-2-amino-3-phenylpropanoate;hydrochloride is Cl.N[C@@H](Cc1ccccc1)C(=O)OCc1cccc2ccccc12.
What is the InChIKey of naphthalen-1-ylmethyl (2S)-2-amino-3-phenylpropanoate;hydrochloride?
The InChIKey is RROJAFZWZKOIPG-FYZYNONXSA-N. The full InChI is InChI=1S/C20H19NO2.ClH/c21-19(13-15-7-2-1-3-8-15)20(22)23-14-17-11-6-10-16-9-4-5-12-18(16)17;/h1-12,19H,13-14,21H2;1H/t19-;/m0./s1.
What are the key properties of naphthalen-1-ylmethyl (2S)-2-amino-3-phenylpropanoate;hydrochloride?
naphthalen-1-ylmethyl (2S)-2-amino-3-phenylpropanoate;hydrochloride has a molecular weight of 341.84 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-ylmethyl (2S)-2-amino-3-phenylpropanoate;hydrochloride is sourced from PubChem (CID 141427624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).