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

C12H17NO5 — CID 43344263

IUPAC2-[(2,4,6-trimethoxyphenyl)methylamino]acetic acid
SMILESCOc1cc(OC)c(CNCC(=O)O)c(OC)c1
InChIInChI=1S/C12H17NO5/c1-16-8-4-10(17-2)9(11(5-8)18-3)6-13-7-12(14)15/h4-5,13H,6-7H2,1-3H3,(H,14,15)
InChIKeyIKJLUKFTUYDVAJ-UHFFFAOYSA-N
MW255.27 g/mol
LogP0.89
Rot. Bonds7

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

2-[(2,4,6-trimethoxyphenyl)methylamino]acetic acid (PubChem CID 43344263) has the molecular formula C12H17NO5 and a molecular weight of 255.27 g/mol. Its IUPAC name is 2-[(2,4,6-trimethoxyphenyl)methylamino]acetic acid.

Molecular Properties

Compound Name2-[(2,4,6-trimethoxyphenyl)methylamino]acetic acid
PubChem CID43344263
Molecular FormulaC12H17NO5
Molecular Weight255.27 g/mol
Exact Mass255.11
IUPAC Name2-[(2,4,6-trimethoxyphenyl)methylamino]acetic acid
SMILESCOc1cc(OC)c(CNCC(=O)O)c(OC)c1
InChIInChI=1S/C12H17NO5/c1-16-8-4-10(17-2)9(11(5-8)18-3)6-13-7-12(14)15/h4-5,13H,6-7H2,1-3H3,(H,14,15)
InChIKeyIKJLUKFTUYDVAJ-UHFFFAOYSA-N
XLogP0.89
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Bis(2,4-dimethoxybenzyl)amine
CID 88696
2-(2,4-Dimethoxyphenyl)pyrrolidine
CID 5236071
(2,4-Dimethoxy-benzyl)-(4-methyl-benzyl)-amine
CID 23724255
(2,4-Dimethoxybenzyl)(2-methylcyclohexyl)amine
CID 2852810
(E)-but-2-enedioic acid;N-[(2,4-dimethoxyphenyl)methyl]-N-(2-methylpropyl)piperidin-4-amine
CID 44411515
(s)-3-Hydroxy-2-[(2,4,6-trimethoxybenzyl)amino]propanoic acid
CID 86298750
N-[(7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-6-yl)methyl]sarcosine
CID 5384392
[(2,4-Dimethoxyphenyl)methyl](ethyl)amine
CID 2250967
N-Benzyl-N-(2,4-dimethoxy-benzyl)-N',N'-dimethyl-ethane-1,2-diamine
CID 646444
methyl 4-(2,4-dimethoxyphenyl)-5-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate
CID 646996
(2,4-Dimethoxybenzyl)(1-ethylpropyl)amine
CID 775201
(2,4-Dimethoxy-3-methyl-benzyl)-[2-(2-fluoro-phenyl)-ethyl]-amine
CID 2852287

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4,6-trimethoxyphenyl)methylamino]acetic acid?
The IUPAC name of 2-[(2,4,6-trimethoxyphenyl)methylamino]acetic acid (CID 43344263) is 2-[(2,4,6-trimethoxyphenyl)methylamino]acetic acid.
What is the SMILES notation for 2-[(2,4,6-trimethoxyphenyl)methylamino]acetic acid?
The canonical SMILES for 2-[(2,4,6-trimethoxyphenyl)methylamino]acetic acid is COc1cc(OC)c(CNCC(=O)O)c(OC)c1.
What is the InChIKey of 2-[(2,4,6-trimethoxyphenyl)methylamino]acetic acid?
The InChIKey is IKJLUKFTUYDVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5/c1-16-8-4-10(17-2)9(11(5-8)18-3)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-trimethoxyphenyl)methylamino]acetic acid?
2-[(2,4,6-trimethoxyphenyl)methylamino]acetic acid has a molecular weight of 255.27 g/mol, XLogP of 0.89, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4,6-trimethoxyphenyl)methylamino]acetic acid is sourced from PubChem (CID 43344263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).