2-[[2-(2,5-dimethylphenyl)acetyl]-methylamino]acetic acid

C13H17NO3 — CID 62538496

IUPAC2-[[2-(2,5-dimethylphenyl)acetyl]-methylamino]acetic acid
SMILESCc1ccc(C)c(CC(=O)N(C)CC(=O)O)c1
InChIInChI=1S/C13H17NO3/c1-9-4-5-10(2)11(6-9)7-12(15)14(3)8-13(16)17/h4-6H,7-8H2,1-3H3,(H,16,17)
InChIKeyYUFKOJLFLVIJBN-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.39
Rot. Bonds4

About 2-[[2-(2,5-dimethylphenyl)acetyl]-methylamino]acetic acid

2-[[2-(2,5-dimethylphenyl)acetyl]-methylamino]acetic acid (PubChem CID 62538496) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-[[2-(2,5-dimethylphenyl)acetyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(2,5-dimethylphenyl)acetyl]-methylamino]acetic acid
PubChem CID62538496
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-[[2-(2,5-dimethylphenyl)acetyl]-methylamino]acetic acid
SMILESCc1ccc(C)c(CC(=O)N(C)CC(=O)O)c1
InChIInChI=1S/C13H17NO3/c1-9-4-5-10(2)11(6-9)7-12(15)14(3)8-13(16)17/h4-6H,7-8H2,1-3H3,(H,16,17)
InChIKeyYUFKOJLFLVIJBN-UHFFFAOYSA-N
XLogP1.39
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(2,5-dimethylphenyl)butanoyl-methylamino]acetic acid
CID 98017340
2-[(2,5-dimethylbenzoyl)-methylamino]acetic acid
CID 18071913
2-(2,5-dimethylphenyl)-N-methylacetohydrazide
CID 116844756
N-(2-bromopropyl)-2-(2,5-dimethylphenyl)-N-methylacetamide
CID 80666132
2-[[2-(2,5-dimethylphenyl)acetyl]-methylamino]butanoic acid
CID 55086579
2-(2,5-dimethylphenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 112704730
N-(5-aminopentyl)-2-(2,5-dimethylphenyl)-N-methylacetamide
CID 107206649
N-(2-cyanopropyl)-2-(2,5-dimethylphenyl)-N-methylacetamide
CID 62539504
2-[N-[(2,5-dimethylphenyl)methyl]-4-methylanilino]acetic acid
CID 61482196
N-(1-aminopropan-2-yl)-2-(2,5-dimethylphenyl)-N-methylacetamide;hydrochloride
CID 119584413
2-(2,5-dimethylphenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylacetamide
CID 62539688
2-(2,5-dimethylphenyl)-N-(4-hydroxyphenyl)-N-methylacetamide
CID 62539015

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,5-dimethylphenyl)acetyl]-methylamino]acetic acid?
The IUPAC name of 2-[[2-(2,5-dimethylphenyl)acetyl]-methylamino]acetic acid (CID 62538496) is 2-[[2-(2,5-dimethylphenyl)acetyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[2-(2,5-dimethylphenyl)acetyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[2-(2,5-dimethylphenyl)acetyl]-methylamino]acetic acid is Cc1ccc(C)c(CC(=O)N(C)CC(=O)O)c1.
What is the InChIKey of 2-[[2-(2,5-dimethylphenyl)acetyl]-methylamino]acetic acid?
The InChIKey is YUFKOJLFLVIJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-9-4-5-10(2)11(6-9)7-12(15)14(3)8-13(16)17/h4-6H,7-8H2,1-3H3,(H,16,17).
What are the key properties of 2-[[2-(2,5-dimethylphenyl)acetyl]-methylamino]acetic acid?
2-[[2-(2,5-dimethylphenyl)acetyl]-methylamino]acetic acid has a molecular weight of 235.28 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,5-dimethylphenyl)acetyl]-methylamino]acetic acid is sourced from PubChem (CID 62538496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).