2-methyl-3-[methyl-[(2,3,5,6-tetramethylphenyl)methyl]amino]propanoic acid

C16H25NO2 — CID 115219486

IUPAC2-methyl-3-[methyl-[(2,3,5,6-tetramethylphenyl)methyl]amino]propanoic acid
SMILESCc1cc(C)c(C)c(CN(C)CC(C)C(=O)O)c1C
InChIInChI=1S/C16H25NO2/c1-10-7-11(2)14(5)15(13(10)4)9-17(6)8-12(3)16(18)19/h7,12H,8-9H2,1-6H3,(H,18,19)
InChIKeyDNQUZQFUFZVXGG-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.07
Rot. Bonds5

About 2-methyl-3-[methyl-[(2,3,5,6-tetramethylphenyl)methyl]amino]propanoic acid

2-methyl-3-[methyl-[(2,3,5,6-tetramethylphenyl)methyl]amino]propanoic acid (PubChem CID 115219486) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-methyl-3-[methyl-[(2,3,5,6-tetramethylphenyl)methyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl-[(2,3,5,6-tetramethylphenyl)methyl]amino]propanoic acid
PubChem CID115219486
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-methyl-3-[methyl-[(2,3,5,6-tetramethylphenyl)methyl]amino]propanoic acid
SMILESCc1cc(C)c(C)c(CN(C)CC(C)C(=O)O)c1C
InChIInChI=1S/C16H25NO2/c1-10-7-11(2)14(5)15(13(10)4)9-17(6)8-12(3)16(18)19/h7,12H,8-9H2,1-6H3,(H,18,19)
InChIKeyDNQUZQFUFZVXGG-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2,6-dichlorophenyl)methyl-methylamino]-2-methylpropanoic acid
CID 55007398
3-[(3,5-dibromophenyl)methyl-methylamino]-2-methylpropanoic acid
CID 122046994
3-amino-N,2-dimethyl-N-[(2,3,5,6-tetramethylphenyl)methyl]propanamide
CID 115153731
3-[(4-methoxy-2,5-dimethylphenyl)methyl-methylamino]-2-methylpropanoic acid
CID 115219485
3-[(5,6-dimethyl-1-benzofuran-2-yl)methyl-methylamino]-2-methylpropanoic acid
CID 122046908
(E)-4-[methyl-[(2,3,5,6-tetramethylphenyl)methyl]amino]but-2-enoic acid
CID 115237198
3-[(4-bromo-5-methylthiophen-2-yl)methyl-methylamino]-2-methylpropanoic acid
CID 102845105
3-[(2,4-dihydroxyphenyl)methyl-methylamino]-2-methylpropanoic acid
CID 65067189
3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-methylamino]-2-methylpropanoic acid
CID 55007839
3-[(2,6-difluoro-3-iodophenyl)methyl-methylamino]-2-methylpropanoic acid
CID 122047064
3-[(2,5-dichlorophenyl)methyl-methylamino]-2-methylpropanoic acid
CID 65316606
3-[(2,4-difluorophenyl)methyl-methylamino]-2-methylpropanoic acid
CID 62197976

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-[(2,3,5,6-tetramethylphenyl)methyl]amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl-[(2,3,5,6-tetramethylphenyl)methyl]amino]propanoic acid (CID 115219486) is 2-methyl-3-[methyl-[(2,3,5,6-tetramethylphenyl)methyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl-[(2,3,5,6-tetramethylphenyl)methyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl-[(2,3,5,6-tetramethylphenyl)methyl]amino]propanoic acid is Cc1cc(C)c(C)c(CN(C)CC(C)C(=O)O)c1C.
What is the InChIKey of 2-methyl-3-[methyl-[(2,3,5,6-tetramethylphenyl)methyl]amino]propanoic acid?
The InChIKey is DNQUZQFUFZVXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-10-7-11(2)14(5)15(13(10)4)9-17(6)8-12(3)16(18)19/h7,12H,8-9H2,1-6H3,(H,18,19).
What are the key properties of 2-methyl-3-[methyl-[(2,3,5,6-tetramethylphenyl)methyl]amino]propanoic acid?
2-methyl-3-[methyl-[(2,3,5,6-tetramethylphenyl)methyl]amino]propanoic acid has a molecular weight of 263.38 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-[(2,3,5,6-tetramethylphenyl)methyl]amino]propanoic acid is sourced from PubChem (CID 115219486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).