1-[2-[[2-(3-hydroxyphenyl)acetyl]amino]ethyl]imidazole-4-carboxylic acid

C14H15N3O4 — CID 107497186

IUPAC1-[2-[[2-(3-hydroxyphenyl)acetyl]amino]ethyl]imidazole-4-carboxylic acid
SMILESO=C(Cc1cccc(O)c1)NCCn1cnc(C(=O)O)c1
InChIInChI=1S/C14H15N3O4/c18-11-3-1-2-10(6-11)7-13(19)15-4-5-17-8-12(14(20)21)16-9-17/h1-3,6,8-9,18H,4-5,7H2,(H,15,19)(H,20,21)
InChIKeyUAOLXQAAESJFIE-UHFFFAOYSA-N
MW289.29 g/mol
LogP0.65
Rot. Bonds6

About 1-[2-[[2-(3-hydroxyphenyl)acetyl]amino]ethyl]imidazole-4-carboxylic acid

1-[2-[[2-(3-hydroxyphenyl)acetyl]amino]ethyl]imidazole-4-carboxylic acid (PubChem CID 107497186) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 1-[2-[[2-(3-hydroxyphenyl)acetyl]amino]ethyl]imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[[2-(3-hydroxyphenyl)acetyl]amino]ethyl]imidazole-4-carboxylic acid
PubChem CID107497186
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name1-[2-[[2-(3-hydroxyphenyl)acetyl]amino]ethyl]imidazole-4-carboxylic acid
SMILESO=C(Cc1cccc(O)c1)NCCn1cnc(C(=O)O)c1
InChIInChI=1S/C14H15N3O4/c18-11-3-1-2-10(6-11)7-13(19)15-4-5-17-8-12(14(20)21)16-9-17/h1-3,6,8-9,18H,4-5,7H2,(H,15,19)(H,20,21)
InChIKeyUAOLXQAAESJFIE-UHFFFAOYSA-N
XLogP0.65
TPSA104.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[[2-(3-aminophenyl)acetyl]amino]ethyl]imidazole-4-carboxylic acid
CID 107500327
1-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]imidazole-4-carboxylic acid
CID 107497236
1-[2-[(2,6-dichlorobenzoyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107496698
1-[2-[(6-fluoropyridine-2-carbonyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107497359
1-[2-[(6-chloropyridine-2-carbonyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107497519
1-(2-acetamidoethyl)imidazole-4-carboxylic acid
CID 107496341
1-[2-[(2,3-dichlorobenzoyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107496859
1-[2-[(2-bromo-6-fluorobenzoyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107497035
1-[2-(benzylsulfonylamino)ethyl]imidazole-4-carboxylic acid
CID 107497874
1-[2-[(2-propan-2-ylsulfanylacetyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107496633
1-[2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]ethyl]imidazole-4-carboxylic acid
CID 107496257
N-(2-cyanoethyl)-2-(3-hydroxyphenyl)acetamide
CID 62651288

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[2-(3-hydroxyphenyl)acetyl]amino]ethyl]imidazole-4-carboxylic acid?
The IUPAC name of 1-[2-[[2-(3-hydroxyphenyl)acetyl]amino]ethyl]imidazole-4-carboxylic acid (CID 107497186) is 1-[2-[[2-(3-hydroxyphenyl)acetyl]amino]ethyl]imidazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-[[2-(3-hydroxyphenyl)acetyl]amino]ethyl]imidazole-4-carboxylic acid?
The canonical SMILES for 1-[2-[[2-(3-hydroxyphenyl)acetyl]amino]ethyl]imidazole-4-carboxylic acid is O=C(Cc1cccc(O)c1)NCCn1cnc(C(=O)O)c1.
What is the InChIKey of 1-[2-[[2-(3-hydroxyphenyl)acetyl]amino]ethyl]imidazole-4-carboxylic acid?
The InChIKey is UAOLXQAAESJFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c18-11-3-1-2-10(6-11)7-13(19)15-4-5-17-8-12(14(20)21)16-9-17/h1-3,6,8-9,18H,4-5,7H2,(H,15,19)(H,20,21).
What are the key properties of 1-[2-[[2-(3-hydroxyphenyl)acetyl]amino]ethyl]imidazole-4-carboxylic acid?
1-[2-[[2-(3-hydroxyphenyl)acetyl]amino]ethyl]imidazole-4-carboxylic acid has a molecular weight of 289.29 g/mol, XLogP of 0.65, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[2-(3-hydroxyphenyl)acetyl]amino]ethyl]imidazole-4-carboxylic acid is sourced from PubChem (CID 107497186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).