ethyl 2-amino-3-[3-(3,5-dimethylphenyl)phenyl]propanoate

C19H23NO2 — CID 170885045

IUPACethyl 2-amino-3-[3-(3,5-dimethylphenyl)phenyl]propanoate
SMILESCCOC(=O)C(N)Cc1cccc(-c2cc(C)cc(C)c2)c1
InChIInChI=1S/C19H23NO2/c1-4-22-19(21)18(20)12-15-6-5-7-16(11-15)17-9-13(2)8-14(3)10-17/h5-11,18H,4,12,20H2,1-3H3
InChIKeyAYUGNHJLFLHTNB-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.40
Rot. Bonds5

About ethyl 2-amino-3-[3-(3,5-dimethylphenyl)phenyl]propanoate

ethyl 2-amino-3-[3-(3,5-dimethylphenyl)phenyl]propanoate (PubChem CID 170885045) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is ethyl 2-amino-3-[3-(3,5-dimethylphenyl)phenyl]propanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-[3-(3,5-dimethylphenyl)phenyl]propanoate
PubChem CID170885045
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Nameethyl 2-amino-3-[3-(3,5-dimethylphenyl)phenyl]propanoate
SMILESCCOC(=O)C(N)Cc1cccc(-c2cc(C)cc(C)c2)c1
InChIInChI=1S/C19H23NO2/c1-4-22-19(21)18(20)12-15-6-5-7-16(11-15)17-9-13(2)8-14(3)10-17/h5-11,18H,4,12,20H2,1-3H3
InChIKeyAYUGNHJLFLHTNB-UHFFFAOYSA-N
XLogP3.40
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-amino-3-[3-(3,4-dimethylphenyl)phenyl]propanoate
CID 170885611
ethyl (2R)-2-amino-3-(3-methylphenyl)propanoate
CID 92959953
ethyl 2-amino-3-[3-(4-fluorophenyl)phenyl]propanoate
CID 170884879
ethyl 2-amino-3-[3-(4-methoxyphenyl)phenyl]propanoate
CID 170884966
ethyl (2R)-2-amino-3-[3-(3-phenylmethoxyphenyl)phenyl]propanoate
CID 154815416
ethyl (2S)-2-amino-3-(3-hydroxyphenyl)propanoate
CID 54017853
ethyl (2R)-2-amino-3-[3-(4-phenylmethoxyphenyl)phenyl]propanoate
CID 154815424
(2S)-2-amino-3-[3-(3-methylphenyl)phenyl]propanoic acid
CID 172529545
ethyl 2-amino-3-(3-propylphenyl)propanoate;hydrochloride
CID 135364891
ethyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 141026874
ethyl (2R)-2-amino-3-(3-cyanophenyl)propanoate
CID 70081034
ethyl (2S)-2-amino-3-phenylpropanoate;hydron;chloride
CID 74764559

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-[3-(3,5-dimethylphenyl)phenyl]propanoate?
The IUPAC name of ethyl 2-amino-3-[3-(3,5-dimethylphenyl)phenyl]propanoate (CID 170885045) is ethyl 2-amino-3-[3-(3,5-dimethylphenyl)phenyl]propanoate.
What is the SMILES notation for ethyl 2-amino-3-[3-(3,5-dimethylphenyl)phenyl]propanoate?
The canonical SMILES for ethyl 2-amino-3-[3-(3,5-dimethylphenyl)phenyl]propanoate is CCOC(=O)C(N)Cc1cccc(-c2cc(C)cc(C)c2)c1.
What is the InChIKey of ethyl 2-amino-3-[3-(3,5-dimethylphenyl)phenyl]propanoate?
The InChIKey is AYUGNHJLFLHTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-4-22-19(21)18(20)12-15-6-5-7-16(11-15)17-9-13(2)8-14(3)10-17/h5-11,18H,4,12,20H2,1-3H3.
What are the key properties of ethyl 2-amino-3-[3-(3,5-dimethylphenyl)phenyl]propanoate?
ethyl 2-amino-3-[3-(3,5-dimethylphenyl)phenyl]propanoate has a molecular weight of 297.40 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-[3-(3,5-dimethylphenyl)phenyl]propanoate is sourced from PubChem (CID 170885045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).