(2S)-2-amino-3-(4-ethylphenyl)propanoic acid

C11H15NO2 — CID 13406785

IUPAC(2S)-2-amino-3-(4-ethylphenyl)propanoic acid
SMILESCCc1ccc(C[C@H](N)C(=O)O)cc1
InChIInChI=1S/C11H15NO2/c1-2-8-3-5-9(6-4-8)7-10(12)11(13)14/h3-6,10H,2,7,12H2,1H3,(H,13,14)/t10-/m0/s1
InChIKeyAWKDBHFQJATNBQ-JTQLQIEISA-N
MW193.25 g/mol
LogP1.20
Rot. Bonds4

About (2S)-2-amino-3-(4-ethylphenyl)propanoic acid

(2S)-2-amino-3-(4-ethylphenyl)propanoic acid (PubChem CID 13406785) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (2S)-2-amino-3-(4-ethylphenyl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(4-ethylphenyl)propanoic acid
PubChem CID13406785
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(2S)-2-amino-3-(4-ethylphenyl)propanoic acid
SMILESCCc1ccc(C[C@H](N)C(=O)O)cc1
InChIInChI=1S/C11H15NO2/c1-2-8-3-5-9(6-4-8)7-10(12)11(13)14/h3-6,10H,2,7,12H2,1H3,(H,13,14)/t10-/m0/s1
InChIKeyAWKDBHFQJATNBQ-JTQLQIEISA-N
XLogP1.20
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-(4-bromophenyl)propanoic acid;2-amino-3-(4-ethylphenyl)propanoic acid;ethane
CID 145152380
2-amino-3-[4-(2-methylpropyl)phenyl]propanoic acid
CID 13406788
(2S)-2-amino-3-phenylpropanoic acid;ethanol
CID 129063061
2-amino-3-(4-methylphenyl)propanoic acid;hydrobromide
CID 172898206
(2S)-2-amino-3-phenylpropanoic acid;(2R)-2-amino-3-phenylpropanoic acid;ethane
CID 161384193
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrogen peroxide
CID 87135815
2-amino-3-(4-hydroxyphenyl)propanoic acid;λ2-plumbane
CID 175006953
(2R)-2-amino-3-[4-(aminomethyl)phenyl]propanoic acid
CID 7018015
(2S)-2-amino-3-(4-hydroxy(3,5-13C2)cyclohexa-1,3,5-trien-1-yl)propanoic acid
CID 162642143
2-amino-3-phenylpropanoic acid;ethane
CID 91596942
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;methanamine;hydrochloride
CID 70404893

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(4-ethylphenyl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(4-ethylphenyl)propanoic acid (CID 13406785) is (2S)-2-amino-3-(4-ethylphenyl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(4-ethylphenyl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(4-ethylphenyl)propanoic acid is CCc1ccc(C[C@H](N)C(=O)O)cc1.
What is the InChIKey of (2S)-2-amino-3-(4-ethylphenyl)propanoic acid?
The InChIKey is AWKDBHFQJATNBQ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H15NO2/c1-2-8-3-5-9(6-4-8)7-10(12)11(13)14/h3-6,10H,2,7,12H2,1H3,(H,13,14)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-3-(4-ethylphenyl)propanoic acid?
(2S)-2-amino-3-(4-ethylphenyl)propanoic acid has a molecular weight of 193.25 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(4-ethylphenyl)propanoic acid is sourced from PubChem (CID 13406785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).