4-(dimethylamino)-4-(4-methoxy-2,3-dimethylphenyl)butanoic acid

C15H23NO3 — CID 112519687

IUPAC4-(dimethylamino)-4-(4-methoxy-2,3-dimethylphenyl)butanoic acid
SMILESCOc1ccc(C(CCC(=O)O)N(C)C)c(C)c1C
InChIInChI=1S/C15H23NO3/c1-10-11(2)14(19-5)8-6-12(10)13(16(3)4)7-9-15(17)18/h6,8,13H,7,9H2,1-5H3,(H,17,18)
InChIKeyRSLDQGYNJWHHBP-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.78
Rot. Bonds6

About 4-(dimethylamino)-4-(4-methoxy-2,3-dimethylphenyl)butanoic acid

4-(dimethylamino)-4-(4-methoxy-2,3-dimethylphenyl)butanoic acid (PubChem CID 112519687) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 4-(dimethylamino)-4-(4-methoxy-2,3-dimethylphenyl)butanoic acid.

Molecular Properties

Compound Name4-(dimethylamino)-4-(4-methoxy-2,3-dimethylphenyl)butanoic acid
PubChem CID112519687
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name4-(dimethylamino)-4-(4-methoxy-2,3-dimethylphenyl)butanoic acid
SMILESCOc1ccc(C(CCC(=O)O)N(C)C)c(C)c1C
InChIInChI=1S/C15H23NO3/c1-10-11(2)14(19-5)8-6-12(10)13(16(3)4)7-9-15(17)18/h6,8,13H,7,9H2,1-5H3,(H,17,18)
InChIKeyRSLDQGYNJWHHBP-UHFFFAOYSA-N
XLogP2.78
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxy-2,3-dimethylphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine
CID 116906021
2-(dimethylamino)-2-(4-methoxy-2,3-dimethylphenyl)acetic acid
CID 82476697
3-(dimethylamino)-3-(2,3,4-trimethoxyphenyl)propanoic acid
CID 64528349
4-amino-4-(3,6-dimethoxy-2-methylphenyl)butanoic acid
CID 117385782
2-amino-3-(dimethylamino)-3-(4-methoxy-2,3-dimethylphenyl)propanoic acid
CID 116911478
1-(4-methoxy-2,3-dimethylphenyl)-N,N-dimethylethanamine
CID 116914636
3-cyclopropyl-3-(4-methoxy-2,3-dimethylphenyl)propanoic acid
CID 82296370
1-methoxy-1-(4-methoxy-2,3-dimethylphenyl)-N,N-dimethylmethanamine
CID 116914495
4-amino-4-(2,4-dimethoxy-3-methylsulfanylphenyl)butanoic acid
CID 117459732
(4S)-4-(3-bromo-2,4-dimethoxyphenyl)-4-hydroxybutanoic acid
CID 114207364
4-amino-4-(4,5-dimethoxy-2,3-dimethylphenyl)butanoic acid
CID 117421706
4-(2,5-difluorophenyl)-4-(dimethylamino)butanoic acid
CID 82386520

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-4-(4-methoxy-2,3-dimethylphenyl)butanoic acid?
The IUPAC name of 4-(dimethylamino)-4-(4-methoxy-2,3-dimethylphenyl)butanoic acid (CID 112519687) is 4-(dimethylamino)-4-(4-methoxy-2,3-dimethylphenyl)butanoic acid.
What is the SMILES notation for 4-(dimethylamino)-4-(4-methoxy-2,3-dimethylphenyl)butanoic acid?
The canonical SMILES for 4-(dimethylamino)-4-(4-methoxy-2,3-dimethylphenyl)butanoic acid is COc1ccc(C(CCC(=O)O)N(C)C)c(C)c1C.
What is the InChIKey of 4-(dimethylamino)-4-(4-methoxy-2,3-dimethylphenyl)butanoic acid?
The InChIKey is RSLDQGYNJWHHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-10-11(2)14(19-5)8-6-12(10)13(16(3)4)7-9-15(17)18/h6,8,13H,7,9H2,1-5H3,(H,17,18).
What are the key properties of 4-(dimethylamino)-4-(4-methoxy-2,3-dimethylphenyl)butanoic acid?
4-(dimethylamino)-4-(4-methoxy-2,3-dimethylphenyl)butanoic acid has a molecular weight of 265.35 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-4-(4-methoxy-2,3-dimethylphenyl)butanoic acid is sourced from PubChem (CID 112519687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).