3-[1-(4-ethylphenyl)propylamino]propanoic acid

C14H21NO2 — CID 43310130

IUPAC3-[1-(4-ethylphenyl)propylamino]propanoic acid
SMILESCCc1ccc(C(CC)NCCC(=O)O)cc1
InChIInChI=1S/C14H21NO2/c1-3-11-5-7-12(8-6-11)13(4-2)15-10-9-14(16)17/h5-8,13,15H,3-4,9-10H2,1-2H3,(H,16,17)
InChIKeyGREDYYKRJXDYTA-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.76
Rot. Bonds7

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

3-[1-(4-ethylphenyl)propylamino]propanoic acid (PubChem CID 43310130) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-[1-(4-ethylphenyl)propylamino]propanoic acid.

Molecular Properties

Compound Name3-[1-(4-ethylphenyl)propylamino]propanoic acid
PubChem CID43310130
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name3-[1-(4-ethylphenyl)propylamino]propanoic acid
SMILESCCc1ccc(C(CC)NCCC(=O)O)cc1
InChIInChI=1S/C14H21NO2/c1-3-11-5-7-12(8-6-11)13(4-2)15-10-9-14(16)17/h5-8,13,15H,3-4,9-10H2,1-2H3,(H,16,17)
InChIKeyGREDYYKRJXDYTA-UHFFFAOYSA-N
XLogP2.76
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[carboxy-(4-ethylphenyl)methyl]amino]propanoic acid
CID 84747535
4-(4-ethylphenyl)-4-(methylamino)butanoic acid
CID 112517844
1-(4-ethylphenyl)-N-(2-methylsulfonylethyl)propan-1-amine
CID 54932076
4-[1-(4-methoxyphenyl)propylamino]butanoic acid
CID 54920949
1-(4-ethylphenyl)-N-(2-phenoxyethyl)propan-1-amine
CID 63453795
N-[1-(4-ethylphenyl)propyl]-3-methylsulfinylbutan-1-amine
CID 115894514
3-[1-(4-ethylphenyl)propylamino]-N,2,2-trimethylpropanamide
CID 103917285
4-[1-[(4-ethylphenyl)methylamino]propyl]phenol
CID 106899400
N',N'-diethyl-N-[1-(4-ethylphenyl)propyl]propane-1,3-diamine
CID 43309958
3-[1-(4-ethylphenyl)propyl-methylamino]propanoic acid
CID 65063117
3-[tert-butyl-[1-(4-ethylphenyl)propyl]amino]propanoic acid
CID 65058328
methyl (2S)-2-[1-(4-ethylphenyl)propylamino]propanoate
CID 43723542

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-ethylphenyl)propylamino]propanoic acid?
The IUPAC name of 3-[1-(4-ethylphenyl)propylamino]propanoic acid (CID 43310130) is 3-[1-(4-ethylphenyl)propylamino]propanoic acid.
What is the SMILES notation for 3-[1-(4-ethylphenyl)propylamino]propanoic acid?
The canonical SMILES for 3-[1-(4-ethylphenyl)propylamino]propanoic acid is CCc1ccc(C(CC)NCCC(=O)O)cc1.
What is the InChIKey of 3-[1-(4-ethylphenyl)propylamino]propanoic acid?
The InChIKey is GREDYYKRJXDYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-3-11-5-7-12(8-6-11)13(4-2)15-10-9-14(16)17/h5-8,13,15H,3-4,9-10H2,1-2H3,(H,16,17).
What are the key properties of 3-[1-(4-ethylphenyl)propylamino]propanoic acid?
3-[1-(4-ethylphenyl)propylamino]propanoic acid has a molecular weight of 235.33 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-ethylphenyl)propylamino]propanoic acid is sourced from PubChem (CID 43310130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).