2-(diethylamino)-3-(4-ethylphenyl)propanoic acid

C15H23NO2 — CID 83969905

IUPAC2-(diethylamino)-3-(4-ethylphenyl)propanoic acid
SMILESCCc1ccc(CC(C(=O)O)N(CC)CC)cc1
InChIInChI=1S/C15H23NO2/c1-4-12-7-9-13(10-8-12)11-14(15(17)18)16(5-2)6-3/h7-10,14H,4-6,11H2,1-3H3,(H,17,18)
InChIKeyOOEHOIVUDPRXHX-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.59
Rot. Bonds7

About 2-(diethylamino)-3-(4-ethylphenyl)propanoic acid

2-(diethylamino)-3-(4-ethylphenyl)propanoic acid (PubChem CID 83969905) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-(diethylamino)-3-(4-ethylphenyl)propanoic acid.

Molecular Properties

Compound Name2-(diethylamino)-3-(4-ethylphenyl)propanoic acid
PubChem CID83969905
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-(diethylamino)-3-(4-ethylphenyl)propanoic acid
SMILESCCc1ccc(CC(C(=O)O)N(CC)CC)cc1
InChIInChI=1S/C15H23NO2/c1-4-12-7-9-13(10-8-12)11-14(15(17)18)16(5-2)6-3/h7-10,14H,4-6,11H2,1-3H3,(H,17,18)
InChIKeyOOEHOIVUDPRXHX-UHFFFAOYSA-N
XLogP2.59
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(diethylamino)-3-(4-iodophenyl)propanoic acid
CID 100552636
(2R)-3-(4-chlorophenyl)-2-(diethylamino)propanoic acid
CID 98822956
(2S)-3-(4-chlorophenyl)-2-(diethylamino)propanoic acid
CID 98822955
(2R)-2-(diethylamino)-3-(4-ethoxyphenyl)propanoic acid
CID 98822896
(2S)-2-(diethylamino)-3-(4-phenoxyphenyl)propanoic acid
CID 100553369
(2S)-2-[amino(propan-2-yl)amino]-3-(4-ethylphenyl)propanoic acid
CID 67703276
2-(diethylamino)-3-(3-fluorophenyl)propanoic acid
CID 83969897
2-(diethylamino)-3-(3,5-dimethylphenyl)propanoic acid
CID 83969909
(2S)-2-(N,4-diethylanilino)butanoic acid
CID 100518092
(2R)-2-(N,4-diethylanilino)butanoic acid
CID 125044983
(2S)-2-amino-3-(4-ethylphenyl)propanoic acid
CID 13406785
2-(diethylamino)-4-methyl-1-phenylpentan-3-one;ethane
CID 145053921

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-3-(4-ethylphenyl)propanoic acid?
The IUPAC name of 2-(diethylamino)-3-(4-ethylphenyl)propanoic acid (CID 83969905) is 2-(diethylamino)-3-(4-ethylphenyl)propanoic acid.
What is the SMILES notation for 2-(diethylamino)-3-(4-ethylphenyl)propanoic acid?
The canonical SMILES for 2-(diethylamino)-3-(4-ethylphenyl)propanoic acid is CCc1ccc(CC(C(=O)O)N(CC)CC)cc1.
What is the InChIKey of 2-(diethylamino)-3-(4-ethylphenyl)propanoic acid?
The InChIKey is OOEHOIVUDPRXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-12-7-9-13(10-8-12)11-14(15(17)18)16(5-2)6-3/h7-10,14H,4-6,11H2,1-3H3,(H,17,18).
What are the key properties of 2-(diethylamino)-3-(4-ethylphenyl)propanoic acid?
2-(diethylamino)-3-(4-ethylphenyl)propanoic acid has a molecular weight of 249.35 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-3-(4-ethylphenyl)propanoic acid is sourced from PubChem (CID 83969905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).