2,2-dimethyl-3-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]propanoic acid

C16H25NO2 — CID 115136607

IUPAC2,2-dimethyl-3-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]propanoic acid
SMILESCc1cc(C)c(CN(C)CC(C)(C)C(=O)O)c(C)c1
InChIInChI=1S/C16H25NO2/c1-11-7-12(2)14(13(3)8-11)9-17(6)10-16(4,5)15(18)19/h7-8H,9-10H2,1-6H3,(H,18,19)
InChIKeyGIOBOVJHUVJTBY-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.15
Rot. Bonds5

About 2,2-dimethyl-3-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]propanoic acid

2,2-dimethyl-3-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]propanoic acid (PubChem CID 115136607) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2,2-dimethyl-3-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]propanoic acid
PubChem CID115136607
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2,2-dimethyl-3-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]propanoic acid
SMILESCc1cc(C)c(CN(C)CC(C)(C)C(=O)O)c(C)c1
InChIInChI=1S/C16H25NO2/c1-11-7-12(2)14(13(3)8-11)9-17(6)10-16(4,5)15(18)19/h7-8H,9-10H2,1-6H3,(H,18,19)
InChIKeyGIOBOVJHUVJTBY-UHFFFAOYSA-N
XLogP3.15
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-5-(2,4,6-trimethylphenyl)pentanoic acid
CID 82131216
3-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylpropanoic acid
CID 79621087
4-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]butan-1-ol
CID 115217664
2-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]acetaldehyde
CID 115223050
3-[2-(3,4-dimethylphenyl)ethyl-methylamino]-2,2-dimethylpropanoic acid
CID 115136669
4-[(2,4-dimethylphenyl)methyl-methylamino]-2,2-dimethylbutanoic acid
CID 115221163
2,2,2-trifluoro-N-methyl-N-[(2,4,6-trimethylphenyl)methyl]acetamide
CID 115190292
2,2-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]propanehydrazide
CID 168853336
3-[(4-tert-butyl-2,6-dimethylphenyl)methyl-methylamino]propan-1-ol
CID 115216933
2,2-dimethyl-3-[methyl-[2-(3-methylphenyl)ethyl]amino]propanoic acid
CID 115136684
N'-methyl-N'-[(2,4,6-trimethylphenyl)methyl]propane-1,3-diamine
CID 62543775
N-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-2-chloro-N-methylethanamine
CID 115214949

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]propanoic acid?
The IUPAC name of 2,2-dimethyl-3-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]propanoic acid (CID 115136607) is 2,2-dimethyl-3-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]propanoic acid is Cc1cc(C)c(CN(C)CC(C)(C)C(=O)O)c(C)c1.
What is the InChIKey of 2,2-dimethyl-3-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]propanoic acid?
The InChIKey is GIOBOVJHUVJTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-11-7-12(2)14(13(3)8-11)9-17(6)10-16(4,5)15(18)19/h7-8H,9-10H2,1-6H3,(H,18,19).
What are the key properties of 2,2-dimethyl-3-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]propanoic acid?
2,2-dimethyl-3-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]propanoic acid has a molecular weight of 263.38 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]propanoic acid is sourced from PubChem (CID 115136607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).