4-[4-(2-methoxyethyl)phenoxy]-2-(propylamino)butanoic acid

C16H25NO4 — CID 63033159

IUPAC4-[4-(2-methoxyethyl)phenoxy]-2-(propylamino)butanoic acid
SMILESCCCNC(CCOc1ccc(CCOC)cc1)C(=O)O
InChIInChI=1S/C16H25NO4/c1-3-10-17-15(16(18)19)9-12-21-14-6-4-13(5-7-14)8-11-20-2/h4-7,15,17H,3,8-12H2,1-2H3,(H,18,19)
InChIKeyQAYPJWLJXUOPRN-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.10
Rot. Bonds11

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

4-[4-(2-methoxyethyl)phenoxy]-2-(propylamino)butanoic acid (PubChem CID 63033159) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is 4-[4-(2-methoxyethyl)phenoxy]-2-(propylamino)butanoic acid.

Molecular Properties

Compound Name4-[4-(2-methoxyethyl)phenoxy]-2-(propylamino)butanoic acid
PubChem CID63033159
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Name4-[4-(2-methoxyethyl)phenoxy]-2-(propylamino)butanoic acid
SMILESCCCNC(CCOc1ccc(CCOC)cc1)C(=O)O
InChIInChI=1S/C16H25NO4/c1-3-10-17-15(16(18)19)9-12-21-14-6-4-13(5-7-14)8-11-20-2/h4-7,15,17H,3,8-12H2,1-2H3,(H,18,19)
InChIKeyQAYPJWLJXUOPRN-UHFFFAOYSA-N
XLogP2.10
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-butylphenoxy)-2-(propylamino)butanoic acid
CID 115493138
methyl 2-(propylamino)-4-(4-propylphenoxy)butanoate
CID 63034457
2-(ethylamino)-4-[4-(2-methoxyethyl)phenoxy]butanamide
CID 63033346
4-[3-(methoxymethyl)phenoxy]-2-(propylamino)butanoic acid
CID 63985791
4-(3-ethoxyphenoxy)-2-(propylamino)butanoic acid
CID 63035319
1-methoxy-3-[4-(2-methoxyethyl)phenoxy]-N-propylpropan-2-amine
CID 107506757
3-[4-(2-methoxyethyl)phenoxy]-2-methylpropanoic acid
CID 43538057
4-(4-ethoxyphenoxy)-2-(propylamino)butanamide
CID 63039148
4-(2,6-difluorophenoxy)-2-(propylamino)butanoic acid
CID 81269196
4-[4-(4-aminobutyl)phenoxy]-2-(carboxymethylamino)butanoic acid
CID 66839987
4-[4-(2-hydroxyethyl)phenoxy]-2-(propylamino)butan-1-ol
CID 107710142
4-[4-(2-methoxyethyl)phenoxy]butanoic acid
CID 43169586

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methoxyethyl)phenoxy]-2-(propylamino)butanoic acid?
The IUPAC name of 4-[4-(2-methoxyethyl)phenoxy]-2-(propylamino)butanoic acid (CID 63033159) is 4-[4-(2-methoxyethyl)phenoxy]-2-(propylamino)butanoic acid.
What is the SMILES notation for 4-[4-(2-methoxyethyl)phenoxy]-2-(propylamino)butanoic acid?
The canonical SMILES for 4-[4-(2-methoxyethyl)phenoxy]-2-(propylamino)butanoic acid is CCCNC(CCOc1ccc(CCOC)cc1)C(=O)O.
What is the InChIKey of 4-[4-(2-methoxyethyl)phenoxy]-2-(propylamino)butanoic acid?
The InChIKey is QAYPJWLJXUOPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-3-10-17-15(16(18)19)9-12-21-14-6-4-13(5-7-14)8-11-20-2/h4-7,15,17H,3,8-12H2,1-2H3,(H,18,19).
What are the key properties of 4-[4-(2-methoxyethyl)phenoxy]-2-(propylamino)butanoic acid?
4-[4-(2-methoxyethyl)phenoxy]-2-(propylamino)butanoic acid has a molecular weight of 295.38 g/mol, XLogP of 2.10, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxyethyl)phenoxy]-2-(propylamino)butanoic acid is sourced from PubChem (CID 63033159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).