4-(2-methoxyphenyl)-4-(methylamino)butanoic acid

C12H17NO3 — CID 112517908

IUPAC4-(2-methoxyphenyl)-4-(methylamino)butanoic acid
SMILESCNC(CCC(=O)O)c1ccccc1OC
InChIInChI=1S/C12H17NO3/c1-13-10(7-8-12(14)15)9-5-3-4-6-11(9)16-2/h3-6,10,13H,7-8H2,1-2H3,(H,14,15)
InChIKeyUADJKWKBWIURGF-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.82
Rot. Bonds6

About 4-(2-methoxyphenyl)-4-(methylamino)butanoic acid

4-(2-methoxyphenyl)-4-(methylamino)butanoic acid (PubChem CID 112517908) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-4-(methylamino)butanoic acid.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-4-(methylamino)butanoic acid
PubChem CID112517908
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name4-(2-methoxyphenyl)-4-(methylamino)butanoic acid
SMILESCNC(CCC(=O)O)c1ccccc1OC
InChIInChI=1S/C12H17NO3/c1-13-10(7-8-12(14)15)9-5-3-4-6-11(9)16-2/h3-6,10,13H,7-8H2,1-2H3,(H,14,15)
InChIKeyUADJKWKBWIURGF-UHFFFAOYSA-N
XLogP1.82
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(2-methoxyphenyl)propylamino]propanoic acid
CID 43774787
1-(2-methoxyphenyl)-N-methylhexan-1-amine
CID 62608289
3-[1-(2-methoxyphenyl)propylsulfamoyl]propanoic acid
CID 43709145
methyl 3-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]sulfonylpropanoate
CID 64676345
4-amino-5-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-5-oxopentanoic acid
CID 81387858
3-(2-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 44630853
2-[(2-methoxyphenyl)-(methylamino)methyl]-3-methylbutanoic acid
CID 116959814
3-[1-(2-methoxyphenyl)ethyl-propan-2-ylamino]propanoic acid
CID 65057113
2-(2-methoxyphenyl)-5-(methylamino)-5-oxopentanoic acid
CID 112516272
1-(2-methoxyphenyl)-N-methyl-3-pyridin-4-ylpropan-1-amine
CID 105093271
3-(2-methoxyphenyl)-2,3-bis(methylamino)propanoic acid
CID 116961127
3-(2-methoxyphenyl)-2-methyl-3-(methylamino)propanoic acid
CID 116953394

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-4-(methylamino)butanoic acid?
The IUPAC name of 4-(2-methoxyphenyl)-4-(methylamino)butanoic acid (CID 112517908) is 4-(2-methoxyphenyl)-4-(methylamino)butanoic acid.
What is the SMILES notation for 4-(2-methoxyphenyl)-4-(methylamino)butanoic acid?
The canonical SMILES for 4-(2-methoxyphenyl)-4-(methylamino)butanoic acid is CNC(CCC(=O)O)c1ccccc1OC.
What is the InChIKey of 4-(2-methoxyphenyl)-4-(methylamino)butanoic acid?
The InChIKey is UADJKWKBWIURGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-13-10(7-8-12(14)15)9-5-3-4-6-11(9)16-2/h3-6,10,13H,7-8H2,1-2H3,(H,14,15).
What are the key properties of 4-(2-methoxyphenyl)-4-(methylamino)butanoic acid?
4-(2-methoxyphenyl)-4-(methylamino)butanoic acid has a molecular weight of 223.27 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-4-(methylamino)butanoic acid is sourced from PubChem (CID 112517908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).