3-[4-(diethylamino)-2-methoxyphenyl]propanoic acid

C14H21NO3 — CID 82052960

IUPAC3-[4-(diethylamino)-2-methoxyphenyl]propanoic acid
SMILESCCN(CC)c1ccc(CCC(=O)O)c(OC)c1
InChIInChI=1S/C14H21NO3/c1-4-15(5-2)12-8-6-11(7-9-14(16)17)13(10-12)18-3/h6,8,10H,4-5,7,9H2,1-3H3,(H,16,17)
InChIKeyHDPOVMHHTNRPHP-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.56
Rot. Bonds7

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

3-[4-(diethylamino)-2-methoxyphenyl]propanoic acid (PubChem CID 82052960) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-[4-(diethylamino)-2-methoxyphenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-(diethylamino)-2-methoxyphenyl]propanoic acid
PubChem CID82052960
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name3-[4-(diethylamino)-2-methoxyphenyl]propanoic acid
SMILESCCN(CC)c1ccc(CCC(=O)O)c(OC)c1
InChIInChI=1S/C14H21NO3/c1-4-15(5-2)12-8-6-11(7-9-14(16)17)13(10-12)18-3/h6,8,10H,4-5,7,9H2,1-3H3,(H,16,17)
InChIKeyHDPOVMHHTNRPHP-UHFFFAOYSA-N
XLogP2.56
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[3-(N-ethyl-4-fluoro-3-methoxyanilino)propyl]-2-fluorophenyl]propanoic acid
CID 67532802
4-[3-(dimethylamino)propyl]-N,N-diethyl-3-methoxyaniline
CID 170865901
3-(4-ethyl-2-methoxyphenyl)propanoic acid
CID 91883544
3-(4-ethoxy-2-methoxyphenyl)propanoic acid
CID 97034664
3-(2-methoxy-4-methylsulfanylphenyl)propanoic acid
CID 91881318
3-(4-ethoxycarbonyl-2-methoxyphenyl)propanoic acid
CID 134641089
N,N-diethyl-3,4-dimethoxyaniline
CID 82538204
1-[4-(diethylamino)-2-methoxyphenyl]propan-1-one
CID 82052966
3-(2-methoxy-4-nitrophenyl)propanoic acid
CID 163661297
4-(3-chloro-N-ethyl-4-methoxyanilino)butanoic acid
CID 100521803
2-chloro-1-[4-(diethylamino)-2-methoxyphenyl]ethanone
CID 82052970
N,N-diethyl-3-methoxy-4-[3-(4-methylpiperazin-1-yl)propyl]aniline
CID 170863148

Frequently Asked Questions

What is the IUPAC name of 3-[4-(diethylamino)-2-methoxyphenyl]propanoic acid?
The IUPAC name of 3-[4-(diethylamino)-2-methoxyphenyl]propanoic acid (CID 82052960) is 3-[4-(diethylamino)-2-methoxyphenyl]propanoic acid.
What is the SMILES notation for 3-[4-(diethylamino)-2-methoxyphenyl]propanoic acid?
The canonical SMILES for 3-[4-(diethylamino)-2-methoxyphenyl]propanoic acid is CCN(CC)c1ccc(CCC(=O)O)c(OC)c1.
What is the InChIKey of 3-[4-(diethylamino)-2-methoxyphenyl]propanoic acid?
The InChIKey is HDPOVMHHTNRPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-4-15(5-2)12-8-6-11(7-9-14(16)17)13(10-12)18-3/h6,8,10H,4-5,7,9H2,1-3H3,(H,16,17).
What are the key properties of 3-[4-(diethylamino)-2-methoxyphenyl]propanoic acid?
3-[4-(diethylamino)-2-methoxyphenyl]propanoic acid has a molecular weight of 251.33 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(diethylamino)-2-methoxyphenyl]propanoic acid is sourced from PubChem (CID 82052960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).