1-[2-(diethylcarbamoylamino)ethyl]imidazole-4-carboxylic acid

C11H18N4O3 — CID 107496589

IUPAC1-[2-(diethylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
SMILESCCN(CC)C(=O)NCCn1cnc(C(=O)O)c1
InChIInChI=1S/C11H18N4O3/c1-3-15(4-2)11(18)12-5-6-14-7-9(10(16)17)13-8-14/h7-8H,3-6H2,1-2H3,(H,12,18)(H,16,17)
InChIKeyVCVFOLTUDBKPQT-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.63
Rot. Bonds6

About 1-[2-(diethylcarbamoylamino)ethyl]imidazole-4-carboxylic acid

1-[2-(diethylcarbamoylamino)ethyl]imidazole-4-carboxylic acid (PubChem CID 107496589) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 1-[2-(diethylcarbamoylamino)ethyl]imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(diethylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
PubChem CID107496589
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name1-[2-(diethylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
SMILESCCN(CC)C(=O)NCCn1cnc(C(=O)O)c1
InChIInChI=1S/C11H18N4O3/c1-3-15(4-2)11(18)12-5-6-14-7-9(10(16)17)13-8-14/h7-8H,3-6H2,1-2H3,(H,12,18)(H,16,17)
InChIKeyVCVFOLTUDBKPQT-UHFFFAOYSA-N
XLogP0.63
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-(diethylcarbamoylamino)ethyl]imidazole-4-carboxylic 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

1-[2-[[ethyl(prop-2-enyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid
CID 107497894
1-[2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid
CID 107498598
1-[2-[[cyclopropyl(ethyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid
CID 107496897
1-[2-[[methyl(propan-2-yl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid
CID 107496620
1-[2-[[cyclopropylmethyl(propyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid
CID 107497150
1-(2-acetamidoethyl)imidazole-4-carboxylic acid
CID 107496341
1-[2-(propylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
CID 107496584
1-[2-(2-methylbutanoylamino)ethyl]imidazole-4-carboxylic acid
CID 107496695
1-[2-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid
CID 107497349
1-[2-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid
CID 107497167
1-[2-[[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid
CID 107497302
1-[2-(but-2-ynoylamino)ethyl]imidazole-4-carboxylic acid
CID 107987042

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylcarbamoylamino)ethyl]imidazole-4-carboxylic acid?
The IUPAC name of 1-[2-(diethylcarbamoylamino)ethyl]imidazole-4-carboxylic acid (CID 107496589) is 1-[2-(diethylcarbamoylamino)ethyl]imidazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-(diethylcarbamoylamino)ethyl]imidazole-4-carboxylic acid?
The canonical SMILES for 1-[2-(diethylcarbamoylamino)ethyl]imidazole-4-carboxylic acid is CCN(CC)C(=O)NCCn1cnc(C(=O)O)c1.
What is the InChIKey of 1-[2-(diethylcarbamoylamino)ethyl]imidazole-4-carboxylic acid?
The InChIKey is VCVFOLTUDBKPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-3-15(4-2)11(18)12-5-6-14-7-9(10(16)17)13-8-14/h7-8H,3-6H2,1-2H3,(H,12,18)(H,16,17).
What are the key properties of 1-[2-(diethylcarbamoylamino)ethyl]imidazole-4-carboxylic acid?
1-[2-(diethylcarbamoylamino)ethyl]imidazole-4-carboxylic acid has a molecular weight of 254.29 g/mol, XLogP of 0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylcarbamoylamino)ethyl]imidazole-4-carboxylic acid is sourced from PubChem (CID 107496589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).