1-[2-[(2-ethylmorpholine-4-carbonyl)amino]ethyl]imidazole-4-carboxylic acid

C13H20N4O4 — CID 107496962

IUPAC1-[2-[(2-ethylmorpholine-4-carbonyl)amino]ethyl]imidazole-4-carboxylic acid
SMILESCCC1CN(C(=O)NCCn2cnc(C(=O)O)c2)CCO1
InChIInChI=1S/C13H20N4O4/c1-2-10-7-17(5-6-21-10)13(20)14-3-4-16-8-11(12(18)19)15-9-16/h8-10H,2-7H2,1H3,(H,14,20)(H,18,19)
InChIKeyWHOHISQYNQJHKO-UHFFFAOYSA-N
MW296.33 g/mol
LogP0.40
Rot. Bonds5

About 1-[2-[(2-ethylmorpholine-4-carbonyl)amino]ethyl]imidazole-4-carboxylic acid

1-[2-[(2-ethylmorpholine-4-carbonyl)amino]ethyl]imidazole-4-carboxylic acid (PubChem CID 107496962) has the molecular formula C13H20N4O4 and a molecular weight of 296.33 g/mol. Its IUPAC name is 1-[2-[(2-ethylmorpholine-4-carbonyl)amino]ethyl]imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(2-ethylmorpholine-4-carbonyl)amino]ethyl]imidazole-4-carboxylic acid
PubChem CID107496962
Molecular FormulaC13H20N4O4
Molecular Weight296.33 g/mol
Exact Mass296.15
IUPAC Name1-[2-[(2-ethylmorpholine-4-carbonyl)amino]ethyl]imidazole-4-carboxylic acid
SMILESCCC1CN(C(=O)NCCn2cnc(C(=O)O)c2)CCO1
InChIInChI=1S/C13H20N4O4/c1-2-10-7-17(5-6-21-10)13(20)14-3-4-16-8-11(12(18)19)15-9-16/h8-10H,2-7H2,1H3,(H,14,20)(H,18,19)
InChIKeyWHOHISQYNQJHKO-UHFFFAOYSA-N
XLogP0.40
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[(3-propylpyrrolidine-1-carbonyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107498094
1-[2-[(3-ethylmorpholine-4-carbonyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107497005
N-(2-aminoethyl)-2-ethylmorpholine-4-carboxamide
CID 82506232
1-[2-[2-(oxolan-2-yl)ethylcarbamoylamino]ethyl]imidazole-4-carboxylic acid
CID 107497388
1-[2-[(2-methyloxolane-3-carbonyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107496811
1-[2-[[cyclopropyl(ethyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid
CID 107496897
1-[2-(diethylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
CID 107496589
1-[2-[(2,3-dimethylpiperidine-1-carbonyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107497496
1-[2-(2-methylbutan-2-ylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
CID 107496586
1-[2-(oxan-4-ylmethylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
CID 107497651
(2R)-2-ethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]morpholine-4-carboxamide
CID 97097729
2-[4-[[(2-ethylmorpholine-4-carbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 115458536

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-ethylmorpholine-4-carbonyl)amino]ethyl]imidazole-4-carboxylic acid?
The IUPAC name of 1-[2-[(2-ethylmorpholine-4-carbonyl)amino]ethyl]imidazole-4-carboxylic acid (CID 107496962) is 1-[2-[(2-ethylmorpholine-4-carbonyl)amino]ethyl]imidazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-[(2-ethylmorpholine-4-carbonyl)amino]ethyl]imidazole-4-carboxylic acid?
The canonical SMILES for 1-[2-[(2-ethylmorpholine-4-carbonyl)amino]ethyl]imidazole-4-carboxylic acid is CCC1CN(C(=O)NCCn2cnc(C(=O)O)c2)CCO1.
What is the InChIKey of 1-[2-[(2-ethylmorpholine-4-carbonyl)amino]ethyl]imidazole-4-carboxylic acid?
The InChIKey is WHOHISQYNQJHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O4/c1-2-10-7-17(5-6-21-10)13(20)14-3-4-16-8-11(12(18)19)15-9-16/h8-10H,2-7H2,1H3,(H,14,20)(H,18,19).
What are the key properties of 1-[2-[(2-ethylmorpholine-4-carbonyl)amino]ethyl]imidazole-4-carboxylic acid?
1-[2-[(2-ethylmorpholine-4-carbonyl)amino]ethyl]imidazole-4-carboxylic acid has a molecular weight of 296.33 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-ethylmorpholine-4-carbonyl)amino]ethyl]imidazole-4-carboxylic acid is sourced from PubChem (CID 107496962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).