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

C15H21NO4 — CID 10446326

IUPACethyl 2-amino-3-[4-(2-ethoxy-2-oxoethyl)phenyl]propanoate
SMILESCCOC(=O)Cc1ccc(CC(N)C(=O)OCC)cc1
InChIInChI=1S/C15H21NO4/c1-3-19-14(17)10-12-7-5-11(6-8-12)9-13(16)15(18)20-4-2/h5-8,13H,3-4,9-10,16H2,1-2H3
InChIKeyTYLSPBMFAWZNDR-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.23
Rot. Bonds7

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

ethyl 2-amino-3-[4-(2-ethoxy-2-oxoethyl)phenyl]propanoate (PubChem CID 10446326) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is ethyl 2-amino-3-[4-(2-ethoxy-2-oxoethyl)phenyl]propanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-[4-(2-ethoxy-2-oxoethyl)phenyl]propanoate
PubChem CID10446326
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Nameethyl 2-amino-3-[4-(2-ethoxy-2-oxoethyl)phenyl]propanoate
SMILESCCOC(=O)Cc1ccc(CC(N)C(=O)OCC)cc1
InChIInChI=1S/C15H21NO4/c1-3-19-14(17)10-12-7-5-11(6-8-12)9-13(16)15(18)20-4-2/h5-8,13H,3-4,9-10,16H2,1-2H3
InChIKeyTYLSPBMFAWZNDR-UHFFFAOYSA-N
XLogP1.23
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (2S)-3-(4-acetyloxyphenyl)-2-aminopropanoate
CID 146209579
ethyl 2-[4-(2-methylpropyl)phenyl]acetate;methane
CID 23349504
ethyl (2S)-2-amino-3-(4-fluorophenyl)propanoate
CID 7010712
ethyl 2-amino-3-(4-tert-butylphenyl)propanoate
CID 3527165
azane;ethyl 2-amino-3-(4-hydroxyphenyl)propanoate;hydrofluoride
CID 174185401
ethyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 141026874
ethyl 2-amino-3-(4-pentylphenyl)propanoate
CID 170884689
ethyl (2S)-2-amino-3-phenylpropanoate;hypochlorous acid
CID 69027171
ethyl (2S)-2-amino-3-phenylpropanoate;hydron;chloride
CID 74764559
ethyl 2-amino-3-[4-(trifluoromethyl)phenyl]propanoate
CID 3372676
ethyl 2-amino-3-[4-(1-amino-2,2-dimethylpropyl)phenyl]propanoate
CID 69334174
ethyl 2-[4-[(1R)-1-aminoethyl]phenyl]acetate;hydrochloride
CID 155291481

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-[4-(2-ethoxy-2-oxoethyl)phenyl]propanoate?
The IUPAC name of ethyl 2-amino-3-[4-(2-ethoxy-2-oxoethyl)phenyl]propanoate (CID 10446326) is ethyl 2-amino-3-[4-(2-ethoxy-2-oxoethyl)phenyl]propanoate.
What is the SMILES notation for ethyl 2-amino-3-[4-(2-ethoxy-2-oxoethyl)phenyl]propanoate?
The canonical SMILES for ethyl 2-amino-3-[4-(2-ethoxy-2-oxoethyl)phenyl]propanoate is CCOC(=O)Cc1ccc(CC(N)C(=O)OCC)cc1.
What is the InChIKey of ethyl 2-amino-3-[4-(2-ethoxy-2-oxoethyl)phenyl]propanoate?
The InChIKey is TYLSPBMFAWZNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-3-19-14(17)10-12-7-5-11(6-8-12)9-13(16)15(18)20-4-2/h5-8,13H,3-4,9-10,16H2,1-2H3.
What are the key properties of ethyl 2-amino-3-[4-(2-ethoxy-2-oxoethyl)phenyl]propanoate?
ethyl 2-amino-3-[4-(2-ethoxy-2-oxoethyl)phenyl]propanoate has a molecular weight of 279.34 g/mol, XLogP of 1.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-[4-(2-ethoxy-2-oxoethyl)phenyl]propanoate is sourced from PubChem (CID 10446326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).