3-(2-methoxy-3,4,6-trimethylphenyl)-3-(methylamino)propanoic acid

C14H21NO3 — CID 116953051

IUPAC3-(2-methoxy-3,4,6-trimethylphenyl)-3-(methylamino)propanoic acid
SMILESCNC(CC(=O)O)c1c(C)cc(C)c(C)c1OC
InChIInChI=1S/C14H21NO3/c1-8-6-9(2)13(14(18-5)10(8)3)11(15-4)7-12(16)17/h6,11,15H,7H2,1-5H3,(H,16,17)
InChIKeyVLAVVDZZTIYVGI-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.36
Rot. Bonds5

About 3-(2-methoxy-3,4,6-trimethylphenyl)-3-(methylamino)propanoic acid

3-(2-methoxy-3,4,6-trimethylphenyl)-3-(methylamino)propanoic acid (PubChem CID 116953051) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-(2-methoxy-3,4,6-trimethylphenyl)-3-(methylamino)propanoic acid.

Molecular Properties

Compound Name3-(2-methoxy-3,4,6-trimethylphenyl)-3-(methylamino)propanoic acid
PubChem CID116953051
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name3-(2-methoxy-3,4,6-trimethylphenyl)-3-(methylamino)propanoic acid
SMILESCNC(CC(=O)O)c1c(C)cc(C)c(C)c1OC
InChIInChI=1S/C14H21NO3/c1-8-6-9(2)13(14(18-5)10(8)3)11(15-4)7-12(16)17/h6,11,15H,7H2,1-5H3,(H,16,17)
InChIKeyVLAVVDZZTIYVGI-UHFFFAOYSA-N
XLogP2.36
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methoxy-3,4,6-trimethylphenyl)-3-(methylamino)propan-1-ol
CID 116952888
2-(2-methoxy-3,4,6-trimethylphenyl)-2-(methylamino)ethanethiol
CID 116830729
methyl 2-(2-methoxy-3,4,6-trimethylphenyl)-2-(methylamino)acetate
CID 116857056
2-amino-3-(2-methoxy-3,4,6-trimethylphenyl)-3-(methylamino)propanoic acid
CID 116957436
2,3-diamino-3-(2-methoxy-3,4,6-trimethylphenyl)propanoic acid
CID 116942305
3-(3,4-dimethylphenyl)-3-(methylamino)propanoic acid
CID 65236773
(3R)-3-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3-phenylpropanoic acid
CID 11359377
2-(2-methoxy-3,4,6-trimethylphenyl)propanehydrazide
CID 116843951
3-amino-3-(2-methoxy-3,4,6-trimethylphenyl)-2,2-dimethylpropanoic acid
CID 116937994
2-chloro-1-(2-methoxy-3,4,6-trimethylphenyl)ethanol
CID 116863607
2-(4-methoxy-3,5-dimethylphenyl)-2-(methylamino)ethanol
CID 116859297
1-(2-methoxy-3,4,6-trimethylphenyl)-N'-methylethane-1,2-diamine
CID 116932540

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-3,4,6-trimethylphenyl)-3-(methylamino)propanoic acid?
The IUPAC name of 3-(2-methoxy-3,4,6-trimethylphenyl)-3-(methylamino)propanoic acid (CID 116953051) is 3-(2-methoxy-3,4,6-trimethylphenyl)-3-(methylamino)propanoic acid.
What is the SMILES notation for 3-(2-methoxy-3,4,6-trimethylphenyl)-3-(methylamino)propanoic acid?
The canonical SMILES for 3-(2-methoxy-3,4,6-trimethylphenyl)-3-(methylamino)propanoic acid is CNC(CC(=O)O)c1c(C)cc(C)c(C)c1OC.
What is the InChIKey of 3-(2-methoxy-3,4,6-trimethylphenyl)-3-(methylamino)propanoic acid?
The InChIKey is VLAVVDZZTIYVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-8-6-9(2)13(14(18-5)10(8)3)11(15-4)7-12(16)17/h6,11,15H,7H2,1-5H3,(H,16,17).
What are the key properties of 3-(2-methoxy-3,4,6-trimethylphenyl)-3-(methylamino)propanoic acid?
3-(2-methoxy-3,4,6-trimethylphenyl)-3-(methylamino)propanoic acid has a molecular weight of 251.33 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-3,4,6-trimethylphenyl)-3-(methylamino)propanoic acid is sourced from PubChem (CID 116953051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).