4-[3-(methoxymethyl)phenoxy]-2-(propylamino)butanoic acid

C15H23NO4 — CID 63985791

IUPAC4-[3-(methoxymethyl)phenoxy]-2-(propylamino)butanoic acid
SMILESCCCNC(CCOc1cccc(COC)c1)C(=O)O
InChIInChI=1S/C15H23NO4/c1-3-8-16-14(15(17)18)7-9-20-13-6-4-5-12(10-13)11-19-2/h4-6,10,14,16H,3,7-9,11H2,1-2H3,(H,17,18)
InChIKeyOEBDLUQPXKWNFW-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.05
Rot. Bonds10

About 4-[3-(methoxymethyl)phenoxy]-2-(propylamino)butanoic acid

4-[3-(methoxymethyl)phenoxy]-2-(propylamino)butanoic acid (PubChem CID 63985791) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 4-[3-(methoxymethyl)phenoxy]-2-(propylamino)butanoic acid.

Molecular Properties

Compound Name4-[3-(methoxymethyl)phenoxy]-2-(propylamino)butanoic acid
PubChem CID63985791
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name4-[3-(methoxymethyl)phenoxy]-2-(propylamino)butanoic acid
SMILESCCCNC(CCOc1cccc(COC)c1)C(=O)O
InChIInChI=1S/C15H23NO4/c1-3-8-16-14(15(17)18)7-9-20-13-6-4-5-12(10-13)11-19-2/h4-6,10,14,16H,3,7-9,11H2,1-2H3,(H,17,18)
InChIKeyOEBDLUQPXKWNFW-UHFFFAOYSA-N
XLogP2.05
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-ethoxyphenoxy)-2-(propylamino)butanoic acid
CID 63035319
4-[3-(methoxymethyl)phenoxy]-2-(methylamino)butanamide
CID 63984622
4-[4-(2-methoxyethyl)phenoxy]-2-(propylamino)butanoic acid
CID 63033159
4-(4-butylphenoxy)-2-(propylamino)butanoic acid
CID 115493138
4-(2,6-difluorophenoxy)-2-(propylamino)butanoic acid
CID 81269196
2-[2-(3-chlorophenoxy)ethylamino]pentanoic acid
CID 43631975
2-[(3-phenylmethoxyphenyl)methylamino]pentanoic acid
CID 120509588
3-[3-(methoxymethyl)phenoxy]-1-phenylpropan-1-ol
CID 116693402
4-(3-tert-butylphenoxy)-2-(ethylamino)butanoic acid
CID 63035655
4-[3-(methoxymethyl)phenoxy]-N-methylbutan-2-amine
CID 63986157
1-[3-(methoxymethyl)phenoxy]-3-(propylamino)propan-2-ol
CID 63986764
N-[[3-(2-methoxyethoxy)phenyl]methyl]propan-1-amine
CID 39246100

Frequently Asked Questions

What is the IUPAC name of 4-[3-(methoxymethyl)phenoxy]-2-(propylamino)butanoic acid?
The IUPAC name of 4-[3-(methoxymethyl)phenoxy]-2-(propylamino)butanoic acid (CID 63985791) is 4-[3-(methoxymethyl)phenoxy]-2-(propylamino)butanoic acid.
What is the SMILES notation for 4-[3-(methoxymethyl)phenoxy]-2-(propylamino)butanoic acid?
The canonical SMILES for 4-[3-(methoxymethyl)phenoxy]-2-(propylamino)butanoic acid is CCCNC(CCOc1cccc(COC)c1)C(=O)O.
What is the InChIKey of 4-[3-(methoxymethyl)phenoxy]-2-(propylamino)butanoic acid?
The InChIKey is OEBDLUQPXKWNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-3-8-16-14(15(17)18)7-9-20-13-6-4-5-12(10-13)11-19-2/h4-6,10,14,16H,3,7-9,11H2,1-2H3,(H,17,18).
What are the key properties of 4-[3-(methoxymethyl)phenoxy]-2-(propylamino)butanoic acid?
4-[3-(methoxymethyl)phenoxy]-2-(propylamino)butanoic acid has a molecular weight of 281.35 g/mol, XLogP of 2.05, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methoxymethyl)phenoxy]-2-(propylamino)butanoic acid is sourced from PubChem (CID 63985791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).