(2S)-2-(ethylamino)-3-phenylpropanoic acid

C11H15NO2 — CID 10566639

IUPAC(2S)-2-(ethylamino)-3-phenylpropanoic acid
SMILESCCN[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C11H15NO2/c1-2-12-10(11(13)14)8-9-6-4-3-5-7-9/h3-7,10,12H,2,8H2,1H3,(H,13,14)/t10-/m0/s1
InChIKeyZHLKFJCNKZEBNG-JTQLQIEISA-N
MW193.25 g/mol
LogP1.29
Rot. Bonds5

About (2S)-2-(ethylamino)-3-phenylpropanoic acid

(2S)-2-(ethylamino)-3-phenylpropanoic acid (PubChem CID 10566639) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (2S)-2-(ethylamino)-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-(ethylamino)-3-phenylpropanoic acid
PubChem CID10566639
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(2S)-2-(ethylamino)-3-phenylpropanoic acid
SMILESCCN[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C11H15NO2/c1-2-12-10(11(13)14)8-9-6-4-3-5-7-9/h3-7,10,12H,2,8H2,1H3,(H,13,14)/t10-/m0/s1
InChIKeyZHLKFJCNKZEBNG-JTQLQIEISA-N
XLogP1.29
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

L-Phenylalanine
CID 6140
Nateglinide
CID 5311309
D-Phenylalanine
CID 71567
Dl-Phenylalanine
CID 994
Phenylacetylglutamine
CID 92258
N-Acetyl-L-phenylalanine
CID 74839
Phenylpropionylglycine
CID 152323
p-Fluorophenylalanine
CID 4654
Phenylacetylglycine
CID 68144
L-Phenylglycine
CID 99291
L-Phenylalanyl-L-phenylalanine
CID 6993090
Phe-Gly
CID 6992304

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(ethylamino)-3-phenylpropanoic acid?
The IUPAC name of (2S)-2-(ethylamino)-3-phenylpropanoic acid (CID 10566639) is (2S)-2-(ethylamino)-3-phenylpropanoic acid.
What is the SMILES notation for (2S)-2-(ethylamino)-3-phenylpropanoic acid?
The canonical SMILES for (2S)-2-(ethylamino)-3-phenylpropanoic acid is CCN[C@@H](Cc1ccccc1)C(=O)O.
What is the InChIKey of (2S)-2-(ethylamino)-3-phenylpropanoic acid?
The InChIKey is ZHLKFJCNKZEBNG-JTQLQIEISA-N. The full InChI is InChI=1S/C11H15NO2/c1-2-12-10(11(13)14)8-9-6-4-3-5-7-9/h3-7,10,12H,2,8H2,1H3,(H,13,14)/t10-/m0/s1.
What are the key properties of (2S)-2-(ethylamino)-3-phenylpropanoic acid?
(2S)-2-(ethylamino)-3-phenylpropanoic acid has a molecular weight of 193.25 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(ethylamino)-3-phenylpropanoic acid is sourced from PubChem (CID 10566639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).