methyl 6-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]hexanoate

C11H17N3O4 — CID 43407294

IUPACmethyl 6-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C11H17N3O4/c1-18-9(15)5-3-2-4-6-12-10(16)8-7-13-11(17)14-8/h7H,2-6H2,1H3,(H,12,16)(H2,13,14,17)
InChIKeyXKRJZKQNMFOYGK-UHFFFAOYSA-N
MW255.27 g/mol
LogP0.17
Rot. Bonds7

About methyl 6-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]hexanoate

methyl 6-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]hexanoate (PubChem CID 43407294) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is methyl 6-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]hexanoate.

Molecular Properties

Compound Namemethyl 6-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]hexanoate
PubChem CID43407294
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Namemethyl 6-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C11H17N3O4/c1-18-9(15)5-3-2-4-6-12-10(16)8-7-13-11(17)14-8/h7H,2-6H2,1H3,(H,12,16)(H2,13,14,17)
InChIKeyXKRJZKQNMFOYGK-UHFFFAOYSA-N
XLogP0.17
TPSA104.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methyl 6-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]hexanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]hexanoate?
The IUPAC name of methyl 6-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]hexanoate (CID 43407294) is methyl 6-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]hexanoate.
What is the SMILES notation for methyl 6-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]hexanoate?
The canonical SMILES for methyl 6-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]hexanoate is COC(=O)CCCCCNC(=O)c1c[nH]c(=O)[nH]1.
What is the InChIKey of methyl 6-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]hexanoate?
The InChIKey is XKRJZKQNMFOYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-18-9(15)5-3-2-4-6-12-10(16)8-7-13-11(17)14-8/h7H,2-6H2,1H3,(H,12,16)(H2,13,14,17).
What are the key properties of methyl 6-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]hexanoate?
methyl 6-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]hexanoate has a molecular weight of 255.27 g/mol, XLogP of 0.17, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]hexanoate is sourced from PubChem (CID 43407294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).