4-[3-(4-methoxyphenyl)pentanoylamino]butanoic acid

C16H23NO4 — CID 120684451

IUPAC4-[3-(4-methoxyphenyl)pentanoylamino]butanoic acid
SMILESCCC(CC(=O)NCCCC(=O)O)c1ccc(OC)cc1
InChIInChI=1S/C16H23NO4/c1-3-12(13-6-8-14(21-2)9-7-13)11-15(18)17-10-4-5-16(19)20/h6-9,12H,3-5,10-11H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyLHTZEYSSQFIJPR-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.56
Rot. Bonds9

About 4-[3-(4-methoxyphenyl)pentanoylamino]butanoic acid

4-[3-(4-methoxyphenyl)pentanoylamino]butanoic acid (PubChem CID 120684451) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 4-[3-(4-methoxyphenyl)pentanoylamino]butanoic acid.

Molecular Properties

Compound Name4-[3-(4-methoxyphenyl)pentanoylamino]butanoic acid
PubChem CID120684451
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name4-[3-(4-methoxyphenyl)pentanoylamino]butanoic acid
SMILESCCC(CC(=O)NCCCC(=O)O)c1ccc(OC)cc1
InChIInChI=1S/C16H23NO4/c1-3-12(13-6-8-14(21-2)9-7-13)11-15(18)17-10-4-5-16(19)20/h6-9,12H,3-5,10-11H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyLHTZEYSSQFIJPR-UHFFFAOYSA-N
XLogP2.56
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.56
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

3-[3-(4-methylphenyl)pentanoylamino]propanoic acid
CID 119177620
3-[3-(4-methoxyphenyl)pentanoylamino]-2,2-dimethylpropanoic acid
CID 120687909
4-[1-(4-methoxyphenyl)propylamino]butanoic acid
CID 54920949
6-[2-(4-methoxyphenyl)butanoylamino]hexanoic acid
CID 120686933
2-[2-[3-(4-methoxyphenyl)pentanoylamino]phenyl]acetic acid
CID 120686853
4-[[3-(4-methoxyphenyl)pentanoylamino]methyl]oxane-4-carboxylic acid
CID 120690092
5-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]pentanoic acid
CID 62032850
N-[1-(hydroxymethyl)cyclopentyl]-3-(4-methoxyphenyl)pentanamide
CID 110008578
N-(3-aminopropyl)-3-(4-methoxyphenyl)butanamide
CID 119407461
2-[3-(4-methoxyphenyl)pentanoyl-propylamino]acetic acid
CID 120686453
2-[3-(4-methoxyphenyl)pentanoylamino]-3-phenylpropanoic acid
CID 120684248
4-[2-(4-methoxyphenoxy)ethylcarbamoylamino]butanoic acid
CID 28511511

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methoxyphenyl)pentanoylamino]butanoic acid?
The IUPAC name of 4-[3-(4-methoxyphenyl)pentanoylamino]butanoic acid (CID 120684451) is 4-[3-(4-methoxyphenyl)pentanoylamino]butanoic acid.
What is the SMILES notation for 4-[3-(4-methoxyphenyl)pentanoylamino]butanoic acid?
The canonical SMILES for 4-[3-(4-methoxyphenyl)pentanoylamino]butanoic acid is CCC(CC(=O)NCCCC(=O)O)c1ccc(OC)cc1.
What is the InChIKey of 4-[3-(4-methoxyphenyl)pentanoylamino]butanoic acid?
The InChIKey is LHTZEYSSQFIJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-3-12(13-6-8-14(21-2)9-7-13)11-15(18)17-10-4-5-16(19)20/h6-9,12H,3-5,10-11H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 4-[3-(4-methoxyphenyl)pentanoylamino]butanoic acid?
4-[3-(4-methoxyphenyl)pentanoylamino]butanoic acid has a molecular weight of 293.36 g/mol, XLogP of 2.56, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methoxyphenyl)pentanoylamino]butanoic acid is sourced from PubChem (CID 120684451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).