ethyl 2-amino-3-(2,4-diethoxyphenyl)propanoate

C15H23NO4 — CID 170885142

IUPACethyl 2-amino-3-(2,4-diethoxyphenyl)propanoate
SMILESCCOC(=O)C(N)Cc1ccc(OCC)cc1OCC
InChIInChI=1S/C15H23NO4/c1-4-18-12-8-7-11(14(10-12)19-5-2)9-13(16)15(17)20-6-3/h7-8,10,13H,4-6,9,16H2,1-3H3
InChIKeyRHOWXSGTYBQNDN-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.92
Rot. Bonds8

About ethyl 2-amino-3-(2,4-diethoxyphenyl)propanoate

ethyl 2-amino-3-(2,4-diethoxyphenyl)propanoate (PubChem CID 170885142) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is ethyl 2-amino-3-(2,4-diethoxyphenyl)propanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-(2,4-diethoxyphenyl)propanoate
PubChem CID170885142
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Nameethyl 2-amino-3-(2,4-diethoxyphenyl)propanoate
SMILESCCOC(=O)C(N)Cc1ccc(OCC)cc1OCC
InChIInChI=1S/C15H23NO4/c1-4-18-12-8-7-11(14(10-12)19-5-2)9-13(16)15(17)20-6-3/h7-8,10,13H,4-6,9,16H2,1-3H3
InChIKeyRHOWXSGTYBQNDN-UHFFFAOYSA-N
XLogP1.92
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-amino-3-(2,5-dimethoxyphenyl)propanoate
CID 4284804
ethyl 2-amino-3-(4-fluoro-2-methoxyphenyl)propanoate
CID 170885221
3-(2,4-diethoxyphenyl)-2-(2,5-dimethylphenyl)propanoic acid
CID 83952976
3-(2,4-diethoxyphenyl)-2-(2,4-dimethylphenyl)propanoic acid
CID 83952987
ethyl 2-amino-3-(2,4-dimethylphenyl)propanoate
CID 4031511
2-(3-ethoxy-4-ethylphenoxy)acetamide
CID 141024835
ethyl 2-amino-3-(2-hydroxy-5-methoxyphenyl)propanoate
CID 62962945
3-(2,4-diethoxyphenyl)-2-(4-ethylphenyl)propanoic acid
CID 83952981
ethyl 2-amino-3-[4-hydroxy-2-(1-hydroxyethyl)phenyl]propanoate
CID 141446103
4-[1-amino-3-(2,4-diethoxyphenyl)propan-2-yl]phenol
CID 83975416
2,4-diethoxybenzamide
CID 17145726
ethyl (2S)-3-(4-acetyloxyphenyl)-2-aminopropanoate
CID 146209579

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-(2,4-diethoxyphenyl)propanoate?
The IUPAC name of ethyl 2-amino-3-(2,4-diethoxyphenyl)propanoate (CID 170885142) is ethyl 2-amino-3-(2,4-diethoxyphenyl)propanoate.
What is the SMILES notation for ethyl 2-amino-3-(2,4-diethoxyphenyl)propanoate?
The canonical SMILES for ethyl 2-amino-3-(2,4-diethoxyphenyl)propanoate is CCOC(=O)C(N)Cc1ccc(OCC)cc1OCC.
What is the InChIKey of ethyl 2-amino-3-(2,4-diethoxyphenyl)propanoate?
The InChIKey is RHOWXSGTYBQNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-4-18-12-8-7-11(14(10-12)19-5-2)9-13(16)15(17)20-6-3/h7-8,10,13H,4-6,9,16H2,1-3H3.
What are the key properties of ethyl 2-amino-3-(2,4-diethoxyphenyl)propanoate?
ethyl 2-amino-3-(2,4-diethoxyphenyl)propanoate has a molecular weight of 281.35 g/mol, XLogP of 1.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-(2,4-diethoxyphenyl)propanoate is sourced from PubChem (CID 170885142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).