3-(2-methoxy-4,5-dimethylphenyl)-2,2-dimethyl-3-(methylamino)propanoic acid

C15H23NO3 — CID 116953214

IUPAC3-(2-methoxy-4,5-dimethylphenyl)-2,2-dimethyl-3-(methylamino)propanoic acid
SMILESCNC(c1cc(C)c(C)cc1OC)C(C)(C)C(=O)O
InChIInChI=1S/C15H23NO3/c1-9-7-11(12(19-6)8-10(9)2)13(16-5)15(3,4)14(17)18/h7-8,13,16H,1-6H3,(H,17,18)
InChIKeyXZSUZHQQLVNLBU-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.68
Rot. Bonds5

About 3-(2-methoxy-4,5-dimethylphenyl)-2,2-dimethyl-3-(methylamino)propanoic acid

3-(2-methoxy-4,5-dimethylphenyl)-2,2-dimethyl-3-(methylamino)propanoic acid (PubChem CID 116953214) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-(2-methoxy-4,5-dimethylphenyl)-2,2-dimethyl-3-(methylamino)propanoic acid.

Molecular Properties

Compound Name3-(2-methoxy-4,5-dimethylphenyl)-2,2-dimethyl-3-(methylamino)propanoic acid
PubChem CID116953214
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name3-(2-methoxy-4,5-dimethylphenyl)-2,2-dimethyl-3-(methylamino)propanoic acid
SMILESCNC(c1cc(C)c(C)cc1OC)C(C)(C)C(=O)O
InChIInChI=1S/C15H23NO3/c1-9-7-11(12(19-6)8-10(9)2)13(16-5)15(3,4)14(17)18/h7-8,13,16H,1-6H3,(H,17,18)
InChIKeyXZSUZHQQLVNLBU-UHFFFAOYSA-N
XLogP2.68
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxy-2,5-dimethylphenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 116954031
2,2-dimethyl-3-(methylamino)-3-(6-methyl-1,3-benzodioxol-5-yl)propanoic acid
CID 116953267
1-(4,5-dimethoxy-2-methylphenyl)-N,2,2-trimethylpropan-1-amine
CID 43626719
2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-methylpropanoic acid
CID 82232441
2-methoxy-2-(2-methoxy-4,5-dimethylphenyl)acetic acid
CID 83839387
1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-methyl-2-(methylamino)propan-1-one
CID 116918708
2-amino-3-(4-methoxy-2,5-dimethylphenyl)-3-(methylamino)propanoic acid
CID 116957354
2-(2-methoxy-4,5-dimethylanilino)-2-methylpropanoic acid
CID 115127742
1-(4,5-dimethoxy-2-methylphenyl)-N,2,2-trimethylpropane-1,3-diamine
CID 116949042
2-amino-2-(2-methoxy-4,5-dimethylphenyl)-N'-methylacetohydrazide
CID 116849362
1-(4,5-dimethoxy-2-methylphenyl)-N,2,2-trimethylbutan-1-amine
CID 62678421
1-(2-methoxy-5-methylphenyl)-2-methyl-1-(methylamino)propan-2-ol
CID 116957172

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-4,5-dimethylphenyl)-2,2-dimethyl-3-(methylamino)propanoic acid?
The IUPAC name of 3-(2-methoxy-4,5-dimethylphenyl)-2,2-dimethyl-3-(methylamino)propanoic acid (CID 116953214) is 3-(2-methoxy-4,5-dimethylphenyl)-2,2-dimethyl-3-(methylamino)propanoic acid.
What is the SMILES notation for 3-(2-methoxy-4,5-dimethylphenyl)-2,2-dimethyl-3-(methylamino)propanoic acid?
The canonical SMILES for 3-(2-methoxy-4,5-dimethylphenyl)-2,2-dimethyl-3-(methylamino)propanoic acid is CNC(c1cc(C)c(C)cc1OC)C(C)(C)C(=O)O.
What is the InChIKey of 3-(2-methoxy-4,5-dimethylphenyl)-2,2-dimethyl-3-(methylamino)propanoic acid?
The InChIKey is XZSUZHQQLVNLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-9-7-11(12(19-6)8-10(9)2)13(16-5)15(3,4)14(17)18/h7-8,13,16H,1-6H3,(H,17,18).
What are the key properties of 3-(2-methoxy-4,5-dimethylphenyl)-2,2-dimethyl-3-(methylamino)propanoic acid?
3-(2-methoxy-4,5-dimethylphenyl)-2,2-dimethyl-3-(methylamino)propanoic acid has a molecular weight of 265.35 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-4,5-dimethylphenyl)-2,2-dimethyl-3-(methylamino)propanoic acid is sourced from PubChem (CID 116953214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).