2-[(2,4,6-trimethylphenyl)methylamino]acetic acid

C12H17NO2 — CID 43135215

IUPAC2-[(2,4,6-trimethylphenyl)methylamino]acetic acid
SMILESCc1cc(C)c(CNCC(=O)O)c(C)c1
InChIInChI=1S/C12H17NO2/c1-8-4-9(2)11(10(3)5-8)6-13-7-12(14)15/h4-5,13H,6-7H2,1-3H3,(H,14,15)
InChIKeyLPKVYMWYAKNVGX-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.79
Rot. Bonds4

About 2-[(2,4,6-trimethylphenyl)methylamino]acetic acid

2-[(2,4,6-trimethylphenyl)methylamino]acetic acid (PubChem CID 43135215) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-[(2,4,6-trimethylphenyl)methylamino]acetic acid.

Molecular Properties

Compound Name2-[(2,4,6-trimethylphenyl)methylamino]acetic acid
PubChem CID43135215
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-[(2,4,6-trimethylphenyl)methylamino]acetic acid
SMILESCc1cc(C)c(CNCC(=O)O)c(C)c1
InChIInChI=1S/C12H17NO2/c1-8-4-9(2)11(10(3)5-8)6-13-7-12(14)15/h4-5,13H,6-7H2,1-3H3,(H,14,15)
InChIKeyLPKVYMWYAKNVGX-UHFFFAOYSA-N
XLogP1.79
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,3,5,6-tetramethylphenyl)methylamino]acetic acid
CID 82494307
(2,4,6-trimethylphenyl)methylcarbamic acid
CID 67124074
N-tert-butyl-2-[(2,4,6-trimethylphenyl)methylamino]acetamide
CID 47177896
2-[(2,6-dimethoxy-4-methylphenyl)methylamino]acetic acid;ethane
CID 145435875
2-[(2-methoxy-3,5-dimethylphenyl)methylamino]acetic acid
CID 82494584
1-[[(2,4,6-trimethylphenyl)methylamino]methyl]cyclopropane-1-carboxylic acid
CID 115242913
3-[[(2,4,6-trimethylphenyl)methylamino]methyl]oxetane-3-carboxylic acid
CID 115248425
3-amino-4-oxo-4-[(2,4,6-trimethylphenyl)methylamino]butanoic acid
CID 115181303
2-[(2,4,6-trimethylphenyl)methylamino]ethanethiol
CID 115223927
3-oxo-N-[(2,4,6-trimethylphenyl)methyl]butanamide
CID 115176374
2-amino-N-[(2,4,6-trimethylphenyl)methyl]acetamide
CID 82126466
methyl 3-hydroxy-4-[(2,4,6-trimethylphenyl)methylamino]butanoate
CID 115123341

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4,6-trimethylphenyl)methylamino]acetic acid?
The IUPAC name of 2-[(2,4,6-trimethylphenyl)methylamino]acetic acid (CID 43135215) is 2-[(2,4,6-trimethylphenyl)methylamino]acetic acid.
What is the SMILES notation for 2-[(2,4,6-trimethylphenyl)methylamino]acetic acid?
The canonical SMILES for 2-[(2,4,6-trimethylphenyl)methylamino]acetic acid is Cc1cc(C)c(CNCC(=O)O)c(C)c1.
What is the InChIKey of 2-[(2,4,6-trimethylphenyl)methylamino]acetic acid?
The InChIKey is LPKVYMWYAKNVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-8-4-9(2)11(10(3)5-8)6-13-7-12(14)15/h4-5,13H,6-7H2,1-3H3,(H,14,15).
What are the key properties of 2-[(2,4,6-trimethylphenyl)methylamino]acetic acid?
2-[(2,4,6-trimethylphenyl)methylamino]acetic acid has a molecular weight of 207.27 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4,6-trimethylphenyl)methylamino]acetic acid is sourced from PubChem (CID 43135215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).