ethyl 2-amino-3-(4-tert-butylphenyl)propanoate

C15H23NO2 — CID 3527165

IUPACethyl 2-amino-3-(4-tert-butylphenyl)propanoate
SMILESCCOC(=O)C(N)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H23NO2/c1-5-18-14(17)13(16)10-11-6-8-12(9-7-11)15(2,3)4/h6-9,13H,5,10,16H2,1-4H3
InChIKeySMAWVLJNTYJLKB-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.42
Rot. Bonds4

About ethyl 2-amino-3-(4-tert-butylphenyl)propanoate

ethyl 2-amino-3-(4-tert-butylphenyl)propanoate (PubChem CID 3527165) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is ethyl 2-amino-3-(4-tert-butylphenyl)propanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-(4-tert-butylphenyl)propanoate
PubChem CID3527165
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Nameethyl 2-amino-3-(4-tert-butylphenyl)propanoate
SMILESCCOC(=O)C(N)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H23NO2/c1-5-18-14(17)13(16)10-11-6-8-12(9-7-11)15(2,3)4/h6-9,13H,5,10,16H2,1-4H3
InChIKeySMAWVLJNTYJLKB-UHFFFAOYSA-N
XLogP2.42
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-amino-3-[4-(trifluoromethyl)phenyl]propanoate
CID 3372676
diethyl 2-[(4-tert-butylphenyl)methyl]propanedioate
CID 15767037
ethyl 2-amino-3-[4-(1-amino-2,2-dimethylpropyl)phenyl]propanoate
CID 69334174
ethyl (2S)-2-amino-3-(4-fluorophenyl)propanoate
CID 7010712
(3R)-3-amino-4-(4-tert-butylphenyl)butan-2-one;ethane
CID 143606958
azane;ethyl 2-amino-3-(4-hydroxyphenyl)propanoate;hydrofluoride
CID 174185401
ethyl 2-amino-3-[4-(2-ethoxy-2-oxoethyl)phenyl]propanoate
CID 10446326
ethyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 141026874
ethyl 2-amino-3-(4-pentylphenyl)propanoate
CID 170884689
ethyl (2S)-3-(4-acetyloxyphenyl)-2-aminopropanoate
CID 146209579
ethyl (2S)-2-amino-3-phenylpropanoate;hypochlorous acid
CID 69027171
ethyl (2S)-2-amino-3-phenylpropanoate;hydron;chloride
CID 74764559

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-(4-tert-butylphenyl)propanoate?
The IUPAC name of ethyl 2-amino-3-(4-tert-butylphenyl)propanoate (CID 3527165) is ethyl 2-amino-3-(4-tert-butylphenyl)propanoate.
What is the SMILES notation for ethyl 2-amino-3-(4-tert-butylphenyl)propanoate?
The canonical SMILES for ethyl 2-amino-3-(4-tert-butylphenyl)propanoate is CCOC(=O)C(N)Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of ethyl 2-amino-3-(4-tert-butylphenyl)propanoate?
The InChIKey is SMAWVLJNTYJLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-5-18-14(17)13(16)10-11-6-8-12(9-7-11)15(2,3)4/h6-9,13H,5,10,16H2,1-4H3.
What are the key properties of ethyl 2-amino-3-(4-tert-butylphenyl)propanoate?
ethyl 2-amino-3-(4-tert-butylphenyl)propanoate has a molecular weight of 249.35 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-(4-tert-butylphenyl)propanoate is sourced from PubChem (CID 3527165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).