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

C15H23NO3 — CID 116937994

IUPAC3-amino-3-(2-methoxy-3,4,6-trimethylphenyl)-2,2-dimethylpropanoic acid
SMILESCOc1c(C)c(C)cc(C)c1C(N)C(C)(C)C(=O)O
InChIInChI=1S/C15H23NO3/c1-8-7-9(2)11(12(19-6)10(8)3)13(16)15(4,5)14(17)18/h7,13H,16H2,1-6H3,(H,17,18)
InChIKeyNLACOAZALJTBPV-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.73
Rot. Bonds4

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

3-amino-3-(2-methoxy-3,4,6-trimethylphenyl)-2,2-dimethylpropanoic acid (PubChem CID 116937994) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-amino-3-(2-methoxy-3,4,6-trimethylphenyl)-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-amino-3-(2-methoxy-3,4,6-trimethylphenyl)-2,2-dimethylpropanoic acid
PubChem CID116937994
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name3-amino-3-(2-methoxy-3,4,6-trimethylphenyl)-2,2-dimethylpropanoic acid
SMILESCOc1c(C)c(C)cc(C)c1C(N)C(C)(C)C(=O)O
InChIInChI=1S/C15H23NO3/c1-8-7-9(2)11(12(19-6)10(8)3)13(16)15(4,5)14(17)18/h7,13H,16H2,1-6H3,(H,17,18)
InChIKeyNLACOAZALJTBPV-UHFFFAOYSA-N
XLogP2.73
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-diamino-3-(2-methoxy-3,4,6-trimethylphenyl)propanoic acid
CID 116942305
1-(2-methoxy-3,4,6-trimethylphenyl)ethanamine
CID 116947379
2-amino-3-(2-methoxy-3,4,6-trimethylphenyl)-3-(methylamino)propanoic acid
CID 116957436
1-[amino-(2-methoxy-3,4,6-trimethylphenyl)methyl]cyclopropane-1-carboxylic acid
CID 116943159
methyl 2-(2-methoxy-3,4,6-trimethylphenyl)-2-(methylamino)acetate
CID 116857056
2-(2-methoxy-3,4,6-trimethylphenyl)propanehydrazide
CID 116843951
1-(2-methoxy-3,4,6-trimethylphenyl)-1-N,1-N,2-trimethylpropane-1,2-diamine
CID 116904584
2-amino-2-(2-hydroxy-3-methoxy-4,5-dimethylphenyl)acetic acid
CID 77128761
3-(2-methoxy-3,4,6-trimethylphenyl)-3-(methylamino)propanoic acid
CID 116953051
2-chloro-1-(2-methoxy-3,4,6-trimethylphenyl)ethanol
CID 116863607
2-chloro-1-(2-methoxy-3,4,6-trimethylphenyl)propan-1-ol
CID 116863758
1-(2-methoxy-3,4,6-trimethylphenyl)-N'-methylethane-1,2-diamine
CID 116932540

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(2-methoxy-3,4,6-trimethylphenyl)-2,2-dimethylpropanoic acid?
The IUPAC name of 3-amino-3-(2-methoxy-3,4,6-trimethylphenyl)-2,2-dimethylpropanoic acid (CID 116937994) is 3-amino-3-(2-methoxy-3,4,6-trimethylphenyl)-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-amino-3-(2-methoxy-3,4,6-trimethylphenyl)-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-amino-3-(2-methoxy-3,4,6-trimethylphenyl)-2,2-dimethylpropanoic acid is COc1c(C)c(C)cc(C)c1C(N)C(C)(C)C(=O)O.
What is the InChIKey of 3-amino-3-(2-methoxy-3,4,6-trimethylphenyl)-2,2-dimethylpropanoic acid?
The InChIKey is NLACOAZALJTBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-8-7-9(2)11(12(19-6)10(8)3)13(16)15(4,5)14(17)18/h7,13H,16H2,1-6H3,(H,17,18).
What are the key properties of 3-amino-3-(2-methoxy-3,4,6-trimethylphenyl)-2,2-dimethylpropanoic acid?
3-amino-3-(2-methoxy-3,4,6-trimethylphenyl)-2,2-dimethylpropanoic acid has a molecular weight of 265.35 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(2-methoxy-3,4,6-trimethylphenyl)-2,2-dimethylpropanoic acid is sourced from PubChem (CID 116937994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).