3-[2-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]propanoic acid

C14H21NO4 — CID 20988529

IUPAC3-[2-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]propanoic acid
SMILESCOc1ccc(CCC(=O)O)c(OCCN(C)C)c1
InChIInChI=1S/C14H21NO4/c1-15(2)8-9-19-13-10-12(18-3)6-4-11(13)5-7-14(16)17/h4,6,10H,5,7-9H2,1-3H3,(H,16,17)
InChIKeyGBJUYBQSFMYYKF-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.65
Rot. Bonds8

About 3-[2-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]propanoic acid

3-[2-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]propanoic acid (PubChem CID 20988529) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 3-[2-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]propanoic acid.

Molecular Properties

Compound Name3-[2-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]propanoic acid
PubChem CID20988529
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name3-[2-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]propanoic acid
SMILESCOc1ccc(CCC(=O)O)c(OCCN(C)C)c1
InChIInChI=1S/C14H21NO4/c1-15(2)8-9-19-13-10-12(18-3)6-4-11(13)5-7-14(16)17/h4,6,10H,5,7-9H2,1-3H3,(H,16,17)
InChIKeyGBJUYBQSFMYYKF-UHFFFAOYSA-N
XLogP1.65
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-methoxy-2-[2-(4-methylphenoxy)ethoxy]phenyl]propanoic acid
CID 22687548
4-[[2-[3-(dimethylamino)propoxy]-4-methoxyphenyl]methylamino]-4-oxobutanoic acid
CID 22681936
3-(4-methoxy-2-phenylmethoxyphenyl)propanoic acid
CID 71348441
2-[2-(dimethylamino)ethoxy]-4-methoxybenzoyl chloride
CID 39260609
2-[[2-[2-(dimethylamino)ethoxy]-4-methoxybenzoyl]amino]acetic acid
CID 39293694
3-(4-ethoxy-2-methoxyphenyl)propanoic acid
CID 97034664
N-[[2-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]methyl]-2-methoxyethanamine
CID 63061000
3-[2-(dimethylamino)-5-methoxyphenyl]propanoic acid
CID 117319605
3-(2-amino-5-methoxyphenoxy)propanoic acid
CID 102702334
3-[2-(hydroxymethyl)-5-methoxyphenoxy]-N,N-dimethylpropanamide
CID 61269047
4-[2-[[amino(ethyl)amino]methyl]-5-methoxyphenoxy]butanoic acid
CID 166726819
3-[2-(aminomethyl)-5-methoxyphenoxy]-N,N-dimethylpropanamide
CID 61269630

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]propanoic acid?
The IUPAC name of 3-[2-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]propanoic acid (CID 20988529) is 3-[2-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]propanoic acid.
What is the SMILES notation for 3-[2-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]propanoic acid?
The canonical SMILES for 3-[2-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]propanoic acid is COc1ccc(CCC(=O)O)c(OCCN(C)C)c1.
What is the InChIKey of 3-[2-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]propanoic acid?
The InChIKey is GBJUYBQSFMYYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-15(2)8-9-19-13-10-12(18-3)6-4-11(13)5-7-14(16)17/h4,6,10H,5,7-9H2,1-3H3,(H,16,17).
What are the key properties of 3-[2-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]propanoic acid?
3-[2-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]propanoic acid has a molecular weight of 267.32 g/mol, XLogP of 1.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]propanoic acid is sourced from PubChem (CID 20988529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).