benzyl (2S)-2-amino-3-(4-naphthalen-2-ylphenyl)propanoate

C26H23NO2 — CID 54235669

IUPACbenzyl (2S)-2-amino-3-(4-naphthalen-2-ylphenyl)propanoate
SMILESN[C@@H](Cc1ccc(-c2ccc3ccccc3c2)cc1)C(=O)OCc1ccccc1
InChIInChI=1S/C26H23NO2/c27-25(26(28)29-18-20-6-2-1-3-7-20)16-19-10-12-22(13-11-19)24-15-14-21-8-4-5-9-23(21)17-24/h1-15,17,25H,16,18,27H2/t25-/m0/s1
InChIKeyQMJVTKHRWGLWOO-VWLOTQADSA-N
MW381.48 g/mol
LogP5.12
Rot. Bonds6

About benzyl (2S)-2-amino-3-(4-naphthalen-2-ylphenyl)propanoate

benzyl (2S)-2-amino-3-(4-naphthalen-2-ylphenyl)propanoate (PubChem CID 54235669) has the molecular formula C26H23NO2 and a molecular weight of 381.48 g/mol. Its IUPAC name is benzyl (2S)-2-amino-3-(4-naphthalen-2-ylphenyl)propanoate.

Molecular Properties

Compound Namebenzyl (2S)-2-amino-3-(4-naphthalen-2-ylphenyl)propanoate
PubChem CID54235669
Molecular FormulaC26H23NO2
Molecular Weight381.48 g/mol
Exact Mass381.17
IUPAC Namebenzyl (2S)-2-amino-3-(4-naphthalen-2-ylphenyl)propanoate
SMILESN[C@@H](Cc1ccc(-c2ccc3ccccc3c2)cc1)C(=O)OCc1ccccc1
InChIInChI=1S/C26H23NO2/c27-25(26(28)29-18-20-6-2-1-3-7-20)16-19-10-12-22(13-11-19)24-15-14-21-8-4-5-9-23(21)17-24/h1-15,17,25H,16,18,27H2/t25-/m0/s1
InChIKeyQMJVTKHRWGLWOO-VWLOTQADSA-N
XLogP5.12
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.48
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-(4-naphthalen-2-ylphenyl)propanoic acid
CID 66662980
(4-methoxyphenyl)methyl 2-amino-3-phenylpropanoate
CID 14760384
benzyl (2S)-2-amino-3-(4-methylphenyl)propanoate;hydrochloride
CID 139716246
benzyl 2-amino-3-(4-ethoxyphenyl)propanoate
CID 19804808
benzyl 2-amino-3-(2-chloro-4-phenylphenyl)propanoate
CID 174690151
[2-[[(2R)-2-amino-3-phenylpropanoyl]oxymethyl]phenyl]methyl (2R)-2-amino-3-phenylpropanoate
CID 102020431
(3-aminophenyl)methyl (2S)-2-amino-3-phenylpropanoate
CID 57184101
(3-methoxyphenyl)methyl 2-amino-3-phenylpropanoate
CID 61280030
(2S)-2-[[(2-hydroxy-3-oxo-3-phenylmethoxypropyl)-propan-2-ylcarbamoyl]amino]-3-(4-naphthalen-2-ylphenyl)propanoic acid
CID 70255751
benzyl (2R)-3-naphthalen-2-yl-2-(2-naphthalen-2-ylacetyl)oxypropanoate
CID 153297044
ethyl (2R)-2-amino-3-[3-(4-phenylmethoxyphenyl)phenyl]propanoate
CID 154815424
(2S)-2-[[(2-hydroxy-3-oxo-3-phenylmethoxypropyl)-(2-methylpropyl)carbamoyl]amino]-3-(4-naphthalen-2-ylphenyl)propanoic acid
CID 70258965

Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-2-amino-3-(4-naphthalen-2-ylphenyl)propanoate?
The IUPAC name of benzyl (2S)-2-amino-3-(4-naphthalen-2-ylphenyl)propanoate (CID 54235669) is benzyl (2S)-2-amino-3-(4-naphthalen-2-ylphenyl)propanoate.
What is the SMILES notation for benzyl (2S)-2-amino-3-(4-naphthalen-2-ylphenyl)propanoate?
The canonical SMILES for benzyl (2S)-2-amino-3-(4-naphthalen-2-ylphenyl)propanoate is N[C@@H](Cc1ccc(-c2ccc3ccccc3c2)cc1)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2S)-2-amino-3-(4-naphthalen-2-ylphenyl)propanoate?
The InChIKey is QMJVTKHRWGLWOO-VWLOTQADSA-N. The full InChI is InChI=1S/C26H23NO2/c27-25(26(28)29-18-20-6-2-1-3-7-20)16-19-10-12-22(13-11-19)24-15-14-21-8-4-5-9-23(21)17-24/h1-15,17,25H,16,18,27H2/t25-/m0/s1.
What are the key properties of benzyl (2S)-2-amino-3-(4-naphthalen-2-ylphenyl)propanoate?
benzyl (2S)-2-amino-3-(4-naphthalen-2-ylphenyl)propanoate has a molecular weight of 381.48 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-2-amino-3-(4-naphthalen-2-ylphenyl)propanoate is sourced from PubChem (CID 54235669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).