ethyl 2-amino-3-[3-(4-methoxyphenyl)phenyl]propanoate

C18H21NO3 — CID 170884966

IUPACethyl 2-amino-3-[3-(4-methoxyphenyl)phenyl]propanoate
SMILESCCOC(=O)C(N)Cc1cccc(-c2ccc(OC)cc2)c1
InChIInChI=1S/C18H21NO3/c1-3-22-18(20)17(19)12-13-5-4-6-15(11-13)14-7-9-16(21-2)10-8-14/h4-11,17H,3,12,19H2,1-2H3
InChIKeyGMRNPFRFMLZOIX-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.80
Rot. Bonds6

About ethyl 2-amino-3-[3-(4-methoxyphenyl)phenyl]propanoate

ethyl 2-amino-3-[3-(4-methoxyphenyl)phenyl]propanoate (PubChem CID 170884966) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is ethyl 2-amino-3-[3-(4-methoxyphenyl)phenyl]propanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-[3-(4-methoxyphenyl)phenyl]propanoate
PubChem CID170884966
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Nameethyl 2-amino-3-[3-(4-methoxyphenyl)phenyl]propanoate
SMILESCCOC(=O)C(N)Cc1cccc(-c2ccc(OC)cc2)c1
InChIInChI=1S/C18H21NO3/c1-3-22-18(20)17(19)12-13-5-4-6-15(11-13)14-7-9-16(21-2)10-8-14/h4-11,17H,3,12,19H2,1-2H3
InChIKeyGMRNPFRFMLZOIX-UHFFFAOYSA-N
XLogP2.80
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-amino-3-[3-(4-fluorophenyl)phenyl]propanoate
CID 170884879
ethyl (2R)-2-amino-3-[3-(4-phenylmethoxyphenyl)phenyl]propanoate
CID 154815424
ethyl 2-amino-3-[3-(3,4-dimethylphenyl)phenyl]propanoate
CID 170885611
ethyl 2-amino-3-[3-(3,5-dimethylphenyl)phenyl]propanoate
CID 170885045
1-[3-(4-methoxyphenyl)phenyl]butan-2-amine
CID 170888859
ethyl (2R)-2-amino-3-[3-(3-phenylmethoxyphenyl)phenyl]propanoate
CID 154815416
ethyl (2R)-2-amino-3-(3-methylphenyl)propanoate
CID 92959953
ethyl (2S)-2-amino-3-(3-hydroxyphenyl)propanoate
CID 54017853
ethyl 2-amino-3-[4-(3,4-dimethoxyphenyl)phenyl]propanoate
CID 170884969
ethyl 2-amino-3-[4-[3-(methylamino)phenyl]phenyl]propanoate
CID 91249652
ethyl 2-amino-3-(3-propylphenyl)propanoate;hydrochloride
CID 135364891
2-amino-3-[4-(3-methoxyphenyl)phenyl]propanoic acid
CID 12968475

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-[3-(4-methoxyphenyl)phenyl]propanoate?
The IUPAC name of ethyl 2-amino-3-[3-(4-methoxyphenyl)phenyl]propanoate (CID 170884966) is ethyl 2-amino-3-[3-(4-methoxyphenyl)phenyl]propanoate.
What is the SMILES notation for ethyl 2-amino-3-[3-(4-methoxyphenyl)phenyl]propanoate?
The canonical SMILES for ethyl 2-amino-3-[3-(4-methoxyphenyl)phenyl]propanoate is CCOC(=O)C(N)Cc1cccc(-c2ccc(OC)cc2)c1.
What is the InChIKey of ethyl 2-amino-3-[3-(4-methoxyphenyl)phenyl]propanoate?
The InChIKey is GMRNPFRFMLZOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-3-22-18(20)17(19)12-13-5-4-6-15(11-13)14-7-9-16(21-2)10-8-14/h4-11,17H,3,12,19H2,1-2H3.
What are the key properties of ethyl 2-amino-3-[3-(4-methoxyphenyl)phenyl]propanoate?
ethyl 2-amino-3-[3-(4-methoxyphenyl)phenyl]propanoate has a molecular weight of 299.37 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-[3-(4-methoxyphenyl)phenyl]propanoate is sourced from PubChem (CID 170884966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).