2-[[2-(2,5-dimethoxyphenyl)acetyl]-methylamino]-2-methylpropanoic acid

C15H21NO5 — CID 120686315

IUPAC2-[[2-(2,5-dimethoxyphenyl)acetyl]-methylamino]-2-methylpropanoic acid
SMILESCOc1ccc(OC)c(CC(=O)N(C)C(C)(C)C(=O)O)c1
InChIInChI=1S/C15H21NO5/c1-15(2,14(18)19)16(3)13(17)9-10-8-11(20-4)6-7-12(10)21-5/h6-8H,9H2,1-5H3,(H,18,19)
InChIKeyHWXHLLJDJWKKLP-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.57
Rot. Bonds6

About 2-[[2-(2,5-dimethoxyphenyl)acetyl]-methylamino]-2-methylpropanoic acid

2-[[2-(2,5-dimethoxyphenyl)acetyl]-methylamino]-2-methylpropanoic acid (PubChem CID 120686315) has the molecular formula C15H21NO5 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[[2-(2,5-dimethoxyphenyl)acetyl]-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[2-(2,5-dimethoxyphenyl)acetyl]-methylamino]-2-methylpropanoic acid
PubChem CID120686315
Molecular FormulaC15H21NO5
Molecular Weight295.34 g/mol
Exact Mass295.14
IUPAC Name2-[[2-(2,5-dimethoxyphenyl)acetyl]-methylamino]-2-methylpropanoic acid
SMILESCOc1ccc(OC)c(CC(=O)N(C)C(C)(C)C(=O)O)c1
InChIInChI=1S/C15H21NO5/c1-15(2,14(18)19)16(3)13(17)9-10-8-11(20-4)6-7-12(10)21-5/h6-8H,9H2,1-5H3,(H,18,19)
InChIKeyHWXHLLJDJWKKLP-UHFFFAOYSA-N
XLogP1.57
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethoxy-N-methylanilino)-2-methylpropanoic acid
CID 115127836
1-[[2-(2,5-dimethoxyphenyl)acetyl]-methylamino]cyclohexane-1-carboxylic acid
CID 120690006
2-(2,4-dimethoxy-N-methylanilino)-2-methylpropanoic acid
CID 115127855
N-[(2,5-dimethoxyphenyl)methyl]-N-methylcarbamoyl chloride
CID 115194742
3-(2,5-dimethoxy-N-methylanilino)-2,2-dimethylpropanoic acid
CID 115136466
3-[tert-butyl-[(2,5-dimethoxyphenyl)methyl]amino]propanoic acid
CID 60833669
2-[[2-[(3,4-dimethoxybenzoyl)amino]acetyl]-methylamino]-2-methylpropanoic acid
CID 120518643
N-cyclopropyl-2-(2,5-dimethoxyphenyl)-N-(4-ethylcyclohexyl)acetamide
CID 78852926
1-(2,5-dimethoxyphenyl)-3-sulfanylpropan-2-one
CID 58139295
(2,5-dimethoxyphenyl)methyl 2,2-dimethylpropanoate
CID 10933987
1-(2,5-dimethoxyphenyl)-4,4-dimethylpentan-3-one
CID 64503606
2-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]-2-methylpropanoic acid
CID 115128018

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,5-dimethoxyphenyl)acetyl]-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[[2-(2,5-dimethoxyphenyl)acetyl]-methylamino]-2-methylpropanoic acid (CID 120686315) is 2-[[2-(2,5-dimethoxyphenyl)acetyl]-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[2-(2,5-dimethoxyphenyl)acetyl]-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[2-(2,5-dimethoxyphenyl)acetyl]-methylamino]-2-methylpropanoic acid is COc1ccc(OC)c(CC(=O)N(C)C(C)(C)C(=O)O)c1.
What is the InChIKey of 2-[[2-(2,5-dimethoxyphenyl)acetyl]-methylamino]-2-methylpropanoic acid?
The InChIKey is HWXHLLJDJWKKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-15(2,14(18)19)16(3)13(17)9-10-8-11(20-4)6-7-12(10)21-5/h6-8H,9H2,1-5H3,(H,18,19).
What are the key properties of 2-[[2-(2,5-dimethoxyphenyl)acetyl]-methylamino]-2-methylpropanoic acid?
2-[[2-(2,5-dimethoxyphenyl)acetyl]-methylamino]-2-methylpropanoic acid has a molecular weight of 295.34 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,5-dimethoxyphenyl)acetyl]-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 120686315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).