2-[[2-(4-methoxy-2,6-dimethylphenyl)acetyl]-methylamino]acetic acid

C14H19NO4 — CID 110834450

IUPAC2-[[2-(4-methoxy-2,6-dimethylphenyl)acetyl]-methylamino]acetic acid
SMILESCOc1cc(C)c(CC(=O)N(C)CC(=O)O)c(C)c1
InChIInChI=1S/C14H19NO4/c1-9-5-11(19-4)6-10(2)12(9)7-13(16)15(3)8-14(17)18/h5-6H,7-8H2,1-4H3,(H,17,18)
InChIKeyYBGFCUORDUKPIX-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.40
Rot. Bonds5

About 2-[[2-(4-methoxy-2,6-dimethylphenyl)acetyl]-methylamino]acetic acid

2-[[2-(4-methoxy-2,6-dimethylphenyl)acetyl]-methylamino]acetic acid (PubChem CID 110834450) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[[2-(4-methoxy-2,6-dimethylphenyl)acetyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(4-methoxy-2,6-dimethylphenyl)acetyl]-methylamino]acetic acid
PubChem CID110834450
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-[[2-(4-methoxy-2,6-dimethylphenyl)acetyl]-methylamino]acetic acid
SMILESCOc1cc(C)c(CC(=O)N(C)CC(=O)O)c(C)c1
InChIInChI=1S/C14H19NO4/c1-9-5-11(19-4)6-10(2)12(9)7-13(16)15(3)8-14(17)18/h5-6H,7-8H2,1-4H3,(H,17,18)
InChIKeyYBGFCUORDUKPIX-UHFFFAOYSA-N
XLogP1.40
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2,5-dimethylphenyl)acetyl]-methylamino]acetic acid
CID 62538496
2-[3-(3-methoxyphenoxy)propanoyl-methylamino]acetic acid
CID 110837124
2-[[2-(5-chloro-2-fluorophenyl)acetyl]-methylamino]acetic acid
CID 82484267
2-[methyl-(2-naphthalen-2-ylacetyl)amino]acetic acid
CID 18071237
(4-methoxy-2,6-dimethylphenyl)methanamine
CID 82266532
1-[2-[methyl-[2-(2,4,6-trimethylphenyl)acetyl]amino]acetyl]piperidine-4-carboxylic acid
CID 120525461
2-[[2-(2,6-difluorophenyl)acetyl]-[(3,5-dimethoxyphenyl)methyl]amino]acetic acid
CID 120518105
2-cyano-N-[(2,4-dimethoxy-6-methylphenyl)methyl]-N-methylacetamide
CID 115173226
methyl 2-[(2,4-dimethoxy-6-methylphenyl)methyl-methylamino]acetate
CID 115232990
2-[3-(2,4-dimethylphenoxy)propanoyl-methylamino]acetic acid
CID 43356257
2-[(2-methoxyacetyl)-methylamino]acetic acid
CID 16777253
2-[(2-hydroxy-4-methoxybenzoyl)-methylamino]acetic acid
CID 24711323

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-methoxy-2,6-dimethylphenyl)acetyl]-methylamino]acetic acid?
The IUPAC name of 2-[[2-(4-methoxy-2,6-dimethylphenyl)acetyl]-methylamino]acetic acid (CID 110834450) is 2-[[2-(4-methoxy-2,6-dimethylphenyl)acetyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[2-(4-methoxy-2,6-dimethylphenyl)acetyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[2-(4-methoxy-2,6-dimethylphenyl)acetyl]-methylamino]acetic acid is COc1cc(C)c(CC(=O)N(C)CC(=O)O)c(C)c1.
What is the InChIKey of 2-[[2-(4-methoxy-2,6-dimethylphenyl)acetyl]-methylamino]acetic acid?
The InChIKey is YBGFCUORDUKPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-9-5-11(19-4)6-10(2)12(9)7-13(16)15(3)8-14(17)18/h5-6H,7-8H2,1-4H3,(H,17,18).
What are the key properties of 2-[[2-(4-methoxy-2,6-dimethylphenyl)acetyl]-methylamino]acetic acid?
2-[[2-(4-methoxy-2,6-dimethylphenyl)acetyl]-methylamino]acetic acid has a molecular weight of 265.31 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-methoxy-2,6-dimethylphenyl)acetyl]-methylamino]acetic acid is sourced from PubChem (CID 110834450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).