1-[2-[2-(oxolan-2-yl)ethylcarbamoylamino]ethyl]imidazole-4-carboxylic acid

C13H20N4O4 — CID 107497388

IUPAC1-[2-[2-(oxolan-2-yl)ethylcarbamoylamino]ethyl]imidazole-4-carboxylic acid
SMILESO=C(NCCC1CCCO1)NCCn1cnc(C(=O)O)c1
InChIInChI=1S/C13H20N4O4/c18-12(19)11-8-17(9-16-11)6-5-15-13(20)14-4-3-10-2-1-7-21-10/h8-10H,1-7H2,(H,18,19)(H2,14,15,20)
InChIKeyLKCAFZZQBAVZHV-UHFFFAOYSA-N
MW296.33 g/mol
LogP0.45
Rot. Bonds7

About 1-[2-[2-(oxolan-2-yl)ethylcarbamoylamino]ethyl]imidazole-4-carboxylic acid

1-[2-[2-(oxolan-2-yl)ethylcarbamoylamino]ethyl]imidazole-4-carboxylic acid (PubChem CID 107497388) has the molecular formula C13H20N4O4 and a molecular weight of 296.33 g/mol. Its IUPAC name is 1-[2-[2-(oxolan-2-yl)ethylcarbamoylamino]ethyl]imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[2-(oxolan-2-yl)ethylcarbamoylamino]ethyl]imidazole-4-carboxylic acid
PubChem CID107497388
Molecular FormulaC13H20N4O4
Molecular Weight296.33 g/mol
Exact Mass296.15
IUPAC Name1-[2-[2-(oxolan-2-yl)ethylcarbamoylamino]ethyl]imidazole-4-carboxylic acid
SMILESO=C(NCCC1CCCO1)NCCn1cnc(C(=O)O)c1
InChIInChI=1S/C13H20N4O4/c18-12(19)11-8-17(9-16-11)6-5-15-13(20)14-4-3-10-2-1-7-21-10/h8-10H,1-7H2,(H,18,19)(H2,14,15,20)
InChIKeyLKCAFZZQBAVZHV-UHFFFAOYSA-N
XLogP0.45
TPSA105.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[2-[2-(oxolan-2-yl)ethylcarbamoylamino]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-[(2-ethylmorpholine-4-carbonyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107496962
1-[2-[(2-methyloxolane-3-carbonyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107496811
2-[2-[2-(oxolan-2-yl)ethylcarbamoylamino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374334
1-[2-(3,3,3-trifluoropropylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
CID 107497614
1-(2-acetamidoethyl)imidazole-4-carboxylic acid
CID 107496341
1-[2-[[2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]ethyl]imidazole-4-carboxylic acid
CID 107497111
1-[2-(2-methoxypropylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
CID 107498454
2-[4-[[2-(oxolan-2-yl)ethylcarbamoylamino]methyl]triazol-1-yl]acetic acid
CID 115458644
1-[2-[(3-propylpyrrolidine-1-carbonyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107498094
1-[2-(diethylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
CID 107496589
1-[2-[[cyclopropyl(prop-2-enyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid
CID 107497903
2-[2-[2-(oxolan-2-yl)ethylcarbamoylamino]ethoxy]acetic acid
CID 79463058

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(oxolan-2-yl)ethylcarbamoylamino]ethyl]imidazole-4-carboxylic acid?
The IUPAC name of 1-[2-[2-(oxolan-2-yl)ethylcarbamoylamino]ethyl]imidazole-4-carboxylic acid (CID 107497388) is 1-[2-[2-(oxolan-2-yl)ethylcarbamoylamino]ethyl]imidazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-[2-(oxolan-2-yl)ethylcarbamoylamino]ethyl]imidazole-4-carboxylic acid?
The canonical SMILES for 1-[2-[2-(oxolan-2-yl)ethylcarbamoylamino]ethyl]imidazole-4-carboxylic acid is O=C(NCCC1CCCO1)NCCn1cnc(C(=O)O)c1.
What is the InChIKey of 1-[2-[2-(oxolan-2-yl)ethylcarbamoylamino]ethyl]imidazole-4-carboxylic acid?
The InChIKey is LKCAFZZQBAVZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O4/c18-12(19)11-8-17(9-16-11)6-5-15-13(20)14-4-3-10-2-1-7-21-10/h8-10H,1-7H2,(H,18,19)(H2,14,15,20).
What are the key properties of 1-[2-[2-(oxolan-2-yl)ethylcarbamoylamino]ethyl]imidazole-4-carboxylic acid?
1-[2-[2-(oxolan-2-yl)ethylcarbamoylamino]ethyl]imidazole-4-carboxylic acid has a molecular weight of 296.33 g/mol, XLogP of 0.45, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(oxolan-2-yl)ethylcarbamoylamino]ethyl]imidazole-4-carboxylic acid is sourced from PubChem (CID 107497388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).