2-[2-methoxyethyl-(4-methylbenzoyl)amino]acetic acid

C13H17NO4 — CID 54969089

IUPAC2-[2-methoxyethyl-(4-methylbenzoyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)c1ccc(C)cc1
InChIInChI=1S/C13H17NO4/c1-10-3-5-11(6-4-10)13(17)14(7-8-18-2)9-12(15)16/h3-6H,7-9H2,1-2H3,(H,15,16)
InChIKeyYIFGJNVHZCHOIA-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.17
Rot. Bonds6

About 2-[2-methoxyethyl-(4-methylbenzoyl)amino]acetic acid

2-[2-methoxyethyl-(4-methylbenzoyl)amino]acetic acid (PubChem CID 54969089) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 2-[2-methoxyethyl-(4-methylbenzoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl-(4-methylbenzoyl)amino]acetic acid
PubChem CID54969089
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name2-[2-methoxyethyl-(4-methylbenzoyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)c1ccc(C)cc1
InChIInChI=1S/C13H17NO4/c1-10-3-5-11(6-4-10)13(17)14(7-8-18-2)9-12(15)16/h3-6H,7-9H2,1-2H3,(H,15,16)
InChIKeyYIFGJNVHZCHOIA-UHFFFAOYSA-N
XLogP1.17
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-acetylbenzoyl)-(2-methoxyethyl)amino]acetic acid
CID 119188945
N-(2-methoxyethyl)-N-(3-methoxypropyl)-4-methylbenzamide
CID 70804384
2-[[4-(2-amino-2-oxoethoxy)benzoyl]-(2-methoxyethyl)amino]acetic acid
CID 119189503
2-[[4-(1,3-dithiolan-2-yl)benzoyl]-(2-methoxyethyl)amino]acetic acid
CID 119189107
N-(2-methoxyethyl)-4-methyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 3622960
ethyl 3-[2-methoxyethyl-(4-methylbenzoyl)amino]propanoate
CID 42702523
2-[(4-fluoro-3-methoxybenzoyl)-(2-methoxyethyl)amino]acetic acid
CID 81283722
2-[[3-(methanesulfonamido)-4-methylbenzoyl]-(2-methoxyethyl)amino]acetic acid
CID 119189349
2-[2-methoxyethyl-(3-methyl-5-nitrobenzoyl)amino]acetic acid
CID 115736036
2-[[3-(diethylsulfamoyl)-4-methylbenzoyl]-(2-methoxyethyl)amino]acetic acid
CID 119189513
2-[(4-imidazol-1-ylbenzoyl)-(2-methoxyethyl)amino]acetic acid
CID 119348134
2-[2-methoxyethyl-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]amino]acetic acid
CID 119348135

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl-(4-methylbenzoyl)amino]acetic acid?
The IUPAC name of 2-[2-methoxyethyl-(4-methylbenzoyl)amino]acetic acid (CID 54969089) is 2-[2-methoxyethyl-(4-methylbenzoyl)amino]acetic acid.
What is the SMILES notation for 2-[2-methoxyethyl-(4-methylbenzoyl)amino]acetic acid?
The canonical SMILES for 2-[2-methoxyethyl-(4-methylbenzoyl)amino]acetic acid is COCCN(CC(=O)O)C(=O)c1ccc(C)cc1.
What is the InChIKey of 2-[2-methoxyethyl-(4-methylbenzoyl)amino]acetic acid?
The InChIKey is YIFGJNVHZCHOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-10-3-5-11(6-4-10)13(17)14(7-8-18-2)9-12(15)16/h3-6H,7-9H2,1-2H3,(H,15,16).
What are the key properties of 2-[2-methoxyethyl-(4-methylbenzoyl)amino]acetic acid?
2-[2-methoxyethyl-(4-methylbenzoyl)amino]acetic acid has a molecular weight of 251.28 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl-(4-methylbenzoyl)amino]acetic acid is sourced from PubChem (CID 54969089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).