2-[(4-imidazol-1-ylbenzoyl)-(2-methoxyethyl)amino]acetic acid

C15H17N3O4 — CID 119348134

IUPAC2-[(4-imidazol-1-ylbenzoyl)-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C15H17N3O4/c1-22-9-8-17(10-14(19)20)15(21)12-2-4-13(5-3-12)18-7-6-16-11-18/h2-7,11H,8-10H2,1H3,(H,19,20)
InChIKeyCDHAYLAKVMNDDG-UHFFFAOYSA-N
MW303.32 g/mol
LogP1.05
Rot. Bonds7

About 2-[(4-imidazol-1-ylbenzoyl)-(2-methoxyethyl)amino]acetic acid

2-[(4-imidazol-1-ylbenzoyl)-(2-methoxyethyl)amino]acetic acid (PubChem CID 119348134) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-[(4-imidazol-1-ylbenzoyl)-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-imidazol-1-ylbenzoyl)-(2-methoxyethyl)amino]acetic acid
PubChem CID119348134
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name2-[(4-imidazol-1-ylbenzoyl)-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C15H17N3O4/c1-22-9-8-17(10-14(19)20)15(21)12-2-4-13(5-3-12)18-7-6-16-11-18/h2-7,11H,8-10H2,1H3,(H,19,20)
InChIKeyCDHAYLAKVMNDDG-UHFFFAOYSA-N
XLogP1.05
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(4-imidazol-1-ylbenzoyl)-(2-methoxyethyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-imidazol-1-yl-3-nitrobenzoyl)-(2-methoxyethyl)amino]acetic acid
CID 119348205
2-[(4-acetylbenzoyl)-(2-methoxyethyl)amino]acetic acid
CID 119188945
2-[2-methoxyethyl-(4-methylbenzoyl)amino]acetic acid
CID 54969089
N-[2-(diethylamino)ethyl]-N-ethyl-4-imidazol-1-ylbenzamide
CID 21275378
4-imidazol-1-yl-N-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)benzamide
CID 56891256
N-[2-(dimethylamino)ethyl]-4-imidazol-1-yl-N-methylbenzamide
CID 110484011
4-imidazol-1-yl-N-(methoxyiminomethyl)benzamide
CID 135544499
2-[[4-(2-amino-2-oxoethoxy)benzoyl]-(2-methoxyethyl)amino]acetic acid
CID 119189503
2-[2-methoxyethyl-(1-phenylpyrazole-4-carbonyl)amino]acetic acid
CID 119189506
2-[[4-(1,3-dithiolan-2-yl)benzoyl]-(2-methoxyethyl)amino]acetic acid
CID 119189107
4-imidazol-1-yl-N-propylbenzamide
CID 31533072
2-[2-methoxyethyl-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]acetic acid
CID 119189237

Frequently Asked Questions

What is the IUPAC name of 2-[(4-imidazol-1-ylbenzoyl)-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[(4-imidazol-1-ylbenzoyl)-(2-methoxyethyl)amino]acetic acid (CID 119348134) is 2-[(4-imidazol-1-ylbenzoyl)-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-imidazol-1-ylbenzoyl)-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[(4-imidazol-1-ylbenzoyl)-(2-methoxyethyl)amino]acetic acid is COCCN(CC(=O)O)C(=O)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of 2-[(4-imidazol-1-ylbenzoyl)-(2-methoxyethyl)amino]acetic acid?
The InChIKey is CDHAYLAKVMNDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-22-9-8-17(10-14(19)20)15(21)12-2-4-13(5-3-12)18-7-6-16-11-18/h2-7,11H,8-10H2,1H3,(H,19,20).
What are the key properties of 2-[(4-imidazol-1-ylbenzoyl)-(2-methoxyethyl)amino]acetic acid?
2-[(4-imidazol-1-ylbenzoyl)-(2-methoxyethyl)amino]acetic acid has a molecular weight of 303.32 g/mol, XLogP of 1.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-imidazol-1-ylbenzoyl)-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 119348134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).