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

C14H17NO5 — CID 119188945

IUPAC2-[(4-acetylbenzoyl)-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C14H17NO5/c1-10(16)11-3-5-12(6-4-11)14(19)15(7-8-20-2)9-13(17)18/h3-6H,7-9H2,1-2H3,(H,17,18)
InChIKeyMYALWHPLGCOKQC-UHFFFAOYSA-N
MW279.29 g/mol
LogP1.06
Rot. Bonds7

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

2-[(4-acetylbenzoyl)-(2-methoxyethyl)amino]acetic acid (PubChem CID 119188945) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is 2-[(4-acetylbenzoyl)-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-acetylbenzoyl)-(2-methoxyethyl)amino]acetic acid
PubChem CID119188945
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name2-[(4-acetylbenzoyl)-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C14H17NO5/c1-10(16)11-3-5-12(6-4-11)14(19)15(7-8-20-2)9-13(17)18/h3-6H,7-9H2,1-2H3,(H,17,18)
InChIKeyMYALWHPLGCOKQC-UHFFFAOYSA-N
XLogP1.06
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-methoxyethyl-(4-methylbenzoyl)amino]acetic acid
CID 54969089
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
2-[(4-fluoro-3-methoxybenzoyl)-(2-methoxyethyl)amino]acetic acid
CID 81283722
2-[(4-imidazol-1-ylbenzoyl)-(2-methoxyethyl)amino]acetic acid
CID 119348134
2-[2-methoxyethyl-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]acetic acid
CID 119189237
2-[[3-(methanesulfonamido)-4-methylbenzoyl]-(2-methoxyethyl)amino]acetic acid
CID 119189349
2-[[3-[ethyl(methyl)carbamoyl]benzoyl]-(2-methoxyethyl)amino]acetic acid
CID 119189296
2-[ethyl-[4-(2-methoxyethoxy)benzoyl]amino]acetic acid
CID 119206355
2-[[3-(diethylsulfamoyl)-4-methylbenzoyl]-(2-methoxyethyl)amino]acetic acid
CID 119189513
2-[2-methoxyethyl-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]amino]acetic acid
CID 119348135
N-(2-methoxyethyl)-N-(3-methoxypropyl)-4-sulfanylbenzamide
CID 107026123

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetylbenzoyl)-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[(4-acetylbenzoyl)-(2-methoxyethyl)amino]acetic acid (CID 119188945) is 2-[(4-acetylbenzoyl)-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-acetylbenzoyl)-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[(4-acetylbenzoyl)-(2-methoxyethyl)amino]acetic acid is COCCN(CC(=O)O)C(=O)c1ccc(C(C)=O)cc1.
What is the InChIKey of 2-[(4-acetylbenzoyl)-(2-methoxyethyl)amino]acetic acid?
The InChIKey is MYALWHPLGCOKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c1-10(16)11-3-5-12(6-4-11)14(19)15(7-8-20-2)9-13(17)18/h3-6H,7-9H2,1-2H3,(H,17,18).
What are the key properties of 2-[(4-acetylbenzoyl)-(2-methoxyethyl)amino]acetic acid?
2-[(4-acetylbenzoyl)-(2-methoxyethyl)amino]acetic acid has a molecular weight of 279.29 g/mol, XLogP of 1.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetylbenzoyl)-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 119188945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).