ethyl (2R)-2-amino-3-[3-(3-phenylmethoxyphenyl)phenyl]propanoate

C24H25NO3 — CID 154815416

IUPACethyl (2R)-2-amino-3-[3-(3-phenylmethoxyphenyl)phenyl]propanoate
SMILESCCOC(=O)[C@H](N)Cc1cccc(-c2cccc(OCc3ccccc3)c2)c1
InChIInChI=1S/C24H25NO3/c1-2-27-24(26)23(25)15-19-10-6-11-20(14-19)21-12-7-13-22(16-21)28-17-18-8-4-3-5-9-18/h3-14,16,23H,2,15,17,25H2,1H3/t23-/m1/s1
InChIKeyQRNOACBEYIFBKO-HSZRJFAPSA-N
MW375.47 g/mol
LogP4.37
Rot. Bonds8

About ethyl (2R)-2-amino-3-[3-(3-phenylmethoxyphenyl)phenyl]propanoate

ethyl (2R)-2-amino-3-[3-(3-phenylmethoxyphenyl)phenyl]propanoate (PubChem CID 154815416) has the molecular formula C24H25NO3 and a molecular weight of 375.47 g/mol. Its IUPAC name is ethyl (2R)-2-amino-3-[3-(3-phenylmethoxyphenyl)phenyl]propanoate.

Molecular Properties

Compound Nameethyl (2R)-2-amino-3-[3-(3-phenylmethoxyphenyl)phenyl]propanoate
PubChem CID154815416
Molecular FormulaC24H25NO3
Molecular Weight375.47 g/mol
Exact Mass375.18
IUPAC Nameethyl (2R)-2-amino-3-[3-(3-phenylmethoxyphenyl)phenyl]propanoate
SMILESCCOC(=O)[C@H](N)Cc1cccc(-c2cccc(OCc3ccccc3)c2)c1
InChIInChI=1S/C24H25NO3/c1-2-27-24(26)23(25)15-19-10-6-11-20(14-19)21-12-7-13-22(16-21)28-17-18-8-4-3-5-9-18/h3-14,16,23H,2,15,17,25H2,1H3/t23-/m1/s1
InChIKeyQRNOACBEYIFBKO-HSZRJFAPSA-N
XLogP4.37
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2R)-2-amino-3-[3-(4-phenylmethoxyphenyl)phenyl]propanoate
CID 154815424
ethyl 2-amino-3-[3-(3,5-dimethylphenyl)phenyl]propanoate
CID 170885045
ethyl 2-amino-3-[3-(4-methoxyphenyl)phenyl]propanoate
CID 170884966
ethyl 2-amino-3-[3-(3,4-dimethylphenyl)phenyl]propanoate
CID 170885611
ethyl 2-amino-3-(4-methyl-3-phenylmethoxyphenyl)propanoate
CID 144719358
ethyl 2-amino-3-[3-(4-fluorophenyl)phenyl]propanoate
CID 170884879
ethyl (2S)-2-amino-3-(3-hydroxyphenyl)propanoate
CID 54017853
ethyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 141026874
ethyl (2R)-2-amino-3-(3-methylphenyl)propanoate
CID 92959953
ethyl (2S)-2-amino-3-phenylpropanoate;hydron;chloride
CID 74764559
ethyl (2S)-2-amino-3-phenylpropanoate;hypochlorous acid
CID 69027171
[(1S)-2-ethoxy-2-oxo-1-(3-phenylmethoxyphenyl)ethyl]azanium
CID 7046932

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-amino-3-[3-(3-phenylmethoxyphenyl)phenyl]propanoate?
The IUPAC name of ethyl (2R)-2-amino-3-[3-(3-phenylmethoxyphenyl)phenyl]propanoate (CID 154815416) is ethyl (2R)-2-amino-3-[3-(3-phenylmethoxyphenyl)phenyl]propanoate.
What is the SMILES notation for ethyl (2R)-2-amino-3-[3-(3-phenylmethoxyphenyl)phenyl]propanoate?
The canonical SMILES for ethyl (2R)-2-amino-3-[3-(3-phenylmethoxyphenyl)phenyl]propanoate is CCOC(=O)[C@H](N)Cc1cccc(-c2cccc(OCc3ccccc3)c2)c1.
What is the InChIKey of ethyl (2R)-2-amino-3-[3-(3-phenylmethoxyphenyl)phenyl]propanoate?
The InChIKey is QRNOACBEYIFBKO-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H25NO3/c1-2-27-24(26)23(25)15-19-10-6-11-20(14-19)21-12-7-13-22(16-21)28-17-18-8-4-3-5-9-18/h3-14,16,23H,2,15,17,25H2,1H3/t23-/m1/s1.
What are the key properties of ethyl (2R)-2-amino-3-[3-(3-phenylmethoxyphenyl)phenyl]propanoate?
ethyl (2R)-2-amino-3-[3-(3-phenylmethoxyphenyl)phenyl]propanoate has a molecular weight of 375.47 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-amino-3-[3-(3-phenylmethoxyphenyl)phenyl]propanoate is sourced from PubChem (CID 154815416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).