3-[1-(4-ethylphenyl)propyl-methylamino]propanoic acid

C15H23NO2 — CID 65063117

IUPAC3-[1-(4-ethylphenyl)propyl-methylamino]propanoic acid
SMILESCCc1ccc(C(CC)N(C)CCC(=O)O)cc1
InChIInChI=1S/C15H23NO2/c1-4-12-6-8-13(9-7-12)14(5-2)16(3)11-10-15(17)18/h6-9,14H,4-5,10-11H2,1-3H3,(H,17,18)
InChIKeyZKLUGDBSZQEUQI-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.11
Rot. Bonds7

About 3-[1-(4-ethylphenyl)propyl-methylamino]propanoic acid

3-[1-(4-ethylphenyl)propyl-methylamino]propanoic acid (PubChem CID 65063117) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-[1-(4-ethylphenyl)propyl-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[1-(4-ethylphenyl)propyl-methylamino]propanoic acid
PubChem CID65063117
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3-[1-(4-ethylphenyl)propyl-methylamino]propanoic acid
SMILESCCc1ccc(C(CC)N(C)CCC(=O)O)cc1
InChIInChI=1S/C15H23NO2/c1-4-12-6-8-13(9-7-12)14(5-2)16(3)11-10-15(17)18/h6-9,14H,4-5,10-11H2,1-3H3,(H,17,18)
InChIKeyZKLUGDBSZQEUQI-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(4-bromophenyl)propyl-methylamino]propanoic acid
CID 65062958
3-[[cyano-(4-ethylphenyl)methyl]-methylamino]propanoic acid
CID 84757783
3-[tert-butyl-[1-(4-ethylphenyl)propyl]amino]propanoic acid
CID 65058328
3-[1-(4-ethylphenyl)propylamino]propanoic acid
CID 43310130
3-[1-phenylpropyl(propyl)amino]propanoic acid
CID 119135012
3-[(4-ethylbenzoyl)-methylamino]propanoic acid
CID 60989059
2-[[2-amino-1-(4-ethylphenyl)ethyl]-methylamino]ethanol
CID 112500855
4-(4-ethylphenyl)-4-(methylamino)butanoic acid
CID 112517844
3-[[carboxy-(4-ethylphenyl)methyl]amino]propanoic acid
CID 84747535
3-[methyl(pentan-3-yl)amino]propanoic acid
CID 43571317
3-[4-ethyl-N-(2-methylpropyl)anilino]propanoic acid
CID 82319275
3-[methyl-[1-(4-methylsulfanylphenyl)butan-2-yl]amino]propanoic acid
CID 84751593

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-ethylphenyl)propyl-methylamino]propanoic acid?
The IUPAC name of 3-[1-(4-ethylphenyl)propyl-methylamino]propanoic acid (CID 65063117) is 3-[1-(4-ethylphenyl)propyl-methylamino]propanoic acid.
What is the SMILES notation for 3-[1-(4-ethylphenyl)propyl-methylamino]propanoic acid?
The canonical SMILES for 3-[1-(4-ethylphenyl)propyl-methylamino]propanoic acid is CCc1ccc(C(CC)N(C)CCC(=O)O)cc1.
What is the InChIKey of 3-[1-(4-ethylphenyl)propyl-methylamino]propanoic acid?
The InChIKey is ZKLUGDBSZQEUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-12-6-8-13(9-7-12)14(5-2)16(3)11-10-15(17)18/h6-9,14H,4-5,10-11H2,1-3H3,(H,17,18).
What are the key properties of 3-[1-(4-ethylphenyl)propyl-methylamino]propanoic acid?
3-[1-(4-ethylphenyl)propyl-methylamino]propanoic acid has a molecular weight of 249.35 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-ethylphenyl)propyl-methylamino]propanoic acid is sourced from PubChem (CID 65063117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).