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

C14H22N2O3 — CID 116957436

IUPAC2-amino-3-(2-methoxy-3,4,6-trimethylphenyl)-3-(methylamino)propanoic acid
SMILESCNC(c1c(C)cc(C)c(C)c1OC)C(N)C(=O)O
InChIInChI=1S/C14H22N2O3/c1-7-6-8(2)10(13(19-5)9(7)3)12(16-4)11(15)14(17)18/h6,11-12,16H,15H2,1-5H3,(H,17,18)
InChIKeyWGOALVJVRMYABG-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.29
Rot. Bonds5

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

2-amino-3-(2-methoxy-3,4,6-trimethylphenyl)-3-(methylamino)propanoic acid (PubChem CID 116957436) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-amino-3-(2-methoxy-3,4,6-trimethylphenyl)-3-(methylamino)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(2-methoxy-3,4,6-trimethylphenyl)-3-(methylamino)propanoic acid
PubChem CID116957436
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-amino-3-(2-methoxy-3,4,6-trimethylphenyl)-3-(methylamino)propanoic acid
SMILESCNC(c1c(C)cc(C)c(C)c1OC)C(N)C(=O)O
InChIInChI=1S/C14H22N2O3/c1-7-6-8(2)10(13(19-5)9(7)3)12(16-4)11(15)14(17)18/h6,11-12,16H,15H2,1-5H3,(H,17,18)
InChIKeyWGOALVJVRMYABG-UHFFFAOYSA-N
XLogP1.29
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-diamino-3-(2-methoxy-3,4,6-trimethylphenyl)propanoic acid
CID 116942305
methyl 2-(2-methoxy-3,4,6-trimethylphenyl)-2-(methylamino)acetate
CID 116857056
3-(2-methoxy-3,4,6-trimethylphenyl)-3-(methylamino)propanoic acid
CID 116953051
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-amino-3-(2,4-dimethoxy-3-methylphenyl)-3-(methylamino)propanoic acid
CID 116957379
2-amino-3-(4-methoxy-2,5-dimethylphenyl)-3-(methylamino)propanoic acid
CID 116957354
1-(2-methoxy-3,4,6-trimethylphenyl)ethanamine
CID 116947379
1-[amino-(2-methoxy-3,4,6-trimethylphenyl)methyl]cyclopropane-1-carboxylic acid
CID 116943159
1-(2-methoxy-3,4,6-trimethylphenyl)-N'-methylethane-1,2-diamine
CID 116932540
2-amino-2-(2-hydroxy-3-methoxy-4,5-dimethylphenyl)acetic acid
CID 77128761
3-(2-methoxy-3,4,6-trimethylphenyl)-3-(methylamino)propan-1-ol
CID 116952888

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-methoxy-3,4,6-trimethylphenyl)-3-(methylamino)propanoic acid?
The IUPAC name of 2-amino-3-(2-methoxy-3,4,6-trimethylphenyl)-3-(methylamino)propanoic acid (CID 116957436) is 2-amino-3-(2-methoxy-3,4,6-trimethylphenyl)-3-(methylamino)propanoic acid.
What is the SMILES notation for 2-amino-3-(2-methoxy-3,4,6-trimethylphenyl)-3-(methylamino)propanoic acid?
The canonical SMILES for 2-amino-3-(2-methoxy-3,4,6-trimethylphenyl)-3-(methylamino)propanoic acid is CNC(c1c(C)cc(C)c(C)c1OC)C(N)C(=O)O.
What is the InChIKey of 2-amino-3-(2-methoxy-3,4,6-trimethylphenyl)-3-(methylamino)propanoic acid?
The InChIKey is WGOALVJVRMYABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-7-6-8(2)10(13(19-5)9(7)3)12(16-4)11(15)14(17)18/h6,11-12,16H,15H2,1-5H3,(H,17,18).
What are the key properties of 2-amino-3-(2-methoxy-3,4,6-trimethylphenyl)-3-(methylamino)propanoic acid?
2-amino-3-(2-methoxy-3,4,6-trimethylphenyl)-3-(methylamino)propanoic acid has a molecular weight of 266.34 g/mol, XLogP of 1.29, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-methoxy-3,4,6-trimethylphenyl)-3-(methylamino)propanoic acid is sourced from PubChem (CID 116957436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).