4-[1-(4-methoxyphenyl)propylamino]butanoic acid

C14H21NO3 — CID 54920949

IUPAC4-[1-(4-methoxyphenyl)propylamino]butanoic acid
SMILESCCC(NCCCC(=O)O)c1ccc(OC)cc1
InChIInChI=1S/C14H21NO3/c1-3-13(15-10-4-5-14(16)17)11-6-8-12(18-2)9-7-11/h6-9,13,15H,3-5,10H2,1-2H3,(H,16,17)
InChIKeyZHAHAFYQTNTGBN-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.60
Rot. Bonds8

About 4-[1-(4-methoxyphenyl)propylamino]butanoic acid

4-[1-(4-methoxyphenyl)propylamino]butanoic acid (PubChem CID 54920949) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-[1-(4-methoxyphenyl)propylamino]butanoic acid.

Molecular Properties

Compound Name4-[1-(4-methoxyphenyl)propylamino]butanoic acid
PubChem CID54920949
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name4-[1-(4-methoxyphenyl)propylamino]butanoic acid
SMILESCCC(NCCCC(=O)O)c1ccc(OC)cc1
InChIInChI=1S/C14H21NO3/c1-3-13(15-10-4-5-14(16)17)11-6-8-12(18-2)9-7-11/h6-9,13,15H,3-5,10H2,1-2H3,(H,16,17)
InChIKeyZHAHAFYQTNTGBN-UHFFFAOYSA-N
XLogP2.60
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[1-(4-methoxyphenyl)propylamino]pentan-1-ol
CID 113350455
N-ethyl-3-[1-(4-methoxyphenyl)propylamino]propanamide
CID 112551780
N-(2-methoxyethyl)-3-[1-(4-methoxyphenyl)propylamino]propanamide
CID 115711958
4-[3-(4-methoxyphenyl)pentanoylamino]butanoic acid
CID 120684451
N-(2-methoxyethyl)-1-(4-methoxyphenyl)propan-1-amine
CID 43177275
methyl 4-[1-(4-fluorophenyl)propylamino]butanoate
CID 54920511
N-(3-ethylsulfanylpropyl)-1-(4-methoxyphenyl)propan-1-amine
CID 115899650
4,4,4-trifluoro-N-[1-(4-methoxyphenyl)propyl]butan-1-amine
CID 81342777
1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-1-amine
CID 43823991
6-[2-(4-methoxyphenyl)butanoylamino]hexanoic acid
CID 120686933
4-[(2-methoxy-1-phenylethyl)amino]butanoic acid
CID 103913559
N-(3-ethenoxypropyl)-1-(4-methoxyphenyl)propan-1-amine
CID 43207314

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-methoxyphenyl)propylamino]butanoic acid?
The IUPAC name of 4-[1-(4-methoxyphenyl)propylamino]butanoic acid (CID 54920949) is 4-[1-(4-methoxyphenyl)propylamino]butanoic acid.
What is the SMILES notation for 4-[1-(4-methoxyphenyl)propylamino]butanoic acid?
The canonical SMILES for 4-[1-(4-methoxyphenyl)propylamino]butanoic acid is CCC(NCCCC(=O)O)c1ccc(OC)cc1.
What is the InChIKey of 4-[1-(4-methoxyphenyl)propylamino]butanoic acid?
The InChIKey is ZHAHAFYQTNTGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-3-13(15-10-4-5-14(16)17)11-6-8-12(18-2)9-7-11/h6-9,13,15H,3-5,10H2,1-2H3,(H,16,17).
What are the key properties of 4-[1-(4-methoxyphenyl)propylamino]butanoic acid?
4-[1-(4-methoxyphenyl)propylamino]butanoic acid has a molecular weight of 251.33 g/mol, XLogP of 2.60, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-methoxyphenyl)propylamino]butanoic acid is sourced from PubChem (CID 54920949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).