2-[acetyl(methyl)amino]-2-(2,5-dimethoxyphenyl)propanoic acid

C14H19NO5 — CID 63703486

IUPAC2-[acetyl(methyl)amino]-2-(2,5-dimethoxyphenyl)propanoic acid
SMILESCOc1ccc(OC)c(C(C)(C(=O)O)N(C)C(C)=O)c1
InChIInChI=1S/C14H19NO5/c1-9(16)15(3)14(2,13(17)18)11-8-10(19-4)6-7-12(11)20-5/h6-8H,1-5H3,(H,17,18)
InChIKeyXQDNXZADOAKPRJ-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.48
Rot. Bonds5

About 2-[acetyl(methyl)amino]-2-(2,5-dimethoxyphenyl)propanoic acid

2-[acetyl(methyl)amino]-2-(2,5-dimethoxyphenyl)propanoic acid (PubChem CID 63703486) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[acetyl(methyl)amino]-2-(2,5-dimethoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-[acetyl(methyl)amino]-2-(2,5-dimethoxyphenyl)propanoic acid
PubChem CID63703486
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name2-[acetyl(methyl)amino]-2-(2,5-dimethoxyphenyl)propanoic acid
SMILESCOc1ccc(OC)c(C(C)(C(=O)O)N(C)C(C)=O)c1
InChIInChI=1S/C14H19NO5/c1-9(16)15(3)14(2,13(17)18)11-8-10(19-4)6-7-12(11)20-5/h6-8H,1-5H3,(H,17,18)
InChIKeyXQDNXZADOAKPRJ-UHFFFAOYSA-N
XLogP1.48
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethoxyphenyl)-2-[formyl(methyl)amino]propanoic acid
CID 63689078
2-(diethylamino)-2-(2,5-dimethoxyphenyl)propanoic acid
CID 43803580
(3S)-3-(2,5-dimethoxyphenyl)-3-hydroxybutanoic acid
CID 36690985
2-(2,5-dimethoxy-N-methylanilino)-2-methylpropanoic acid
CID 115127836
2-[[2-(2,5-dimethoxyphenyl)acetyl]-methylamino]-2-methylpropanoic acid
CID 120686315
3-(2,5-dimethoxy-N-methylanilino)-2,2-dimethylpropanoic acid
CID 115136466
2-(2,4-dimethoxy-N-methylanilino)-2-methylpropanoic acid
CID 115127855
3-(2,5-dimethoxyphenyl)-3-hydroxy-2-propan-2-ylbutanoic acid
CID 62397828
(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)propanoic acid
CID 93297247
2-(2,5-dimethoxyphenyl)-2-methylpropanal
CID 82077627
2-[acetyl(methyl)amino]-2-(2-bromophenyl)propanoic acid
CID 63704546
bis(2-tert-butyl-4-methoxyphenyl) carbonate
CID 168985154

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(methyl)amino]-2-(2,5-dimethoxyphenyl)propanoic acid?
The IUPAC name of 2-[acetyl(methyl)amino]-2-(2,5-dimethoxyphenyl)propanoic acid (CID 63703486) is 2-[acetyl(methyl)amino]-2-(2,5-dimethoxyphenyl)propanoic acid.
What is the SMILES notation for 2-[acetyl(methyl)amino]-2-(2,5-dimethoxyphenyl)propanoic acid?
The canonical SMILES for 2-[acetyl(methyl)amino]-2-(2,5-dimethoxyphenyl)propanoic acid is COc1ccc(OC)c(C(C)(C(=O)O)N(C)C(C)=O)c1.
What is the InChIKey of 2-[acetyl(methyl)amino]-2-(2,5-dimethoxyphenyl)propanoic acid?
The InChIKey is XQDNXZADOAKPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-9(16)15(3)14(2,13(17)18)11-8-10(19-4)6-7-12(11)20-5/h6-8H,1-5H3,(H,17,18).
What are the key properties of 2-[acetyl(methyl)amino]-2-(2,5-dimethoxyphenyl)propanoic acid?
2-[acetyl(methyl)amino]-2-(2,5-dimethoxyphenyl)propanoic acid has a molecular weight of 281.31 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(methyl)amino]-2-(2,5-dimethoxyphenyl)propanoic acid is sourced from PubChem (CID 63703486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).