7-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]heptanoic acid

C11H17N3O4 — CID 28791175

IUPAC7-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]heptanoic acid
SMILESO=C(O)CCCCCCNC(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C11H17N3O4/c15-9(16)5-3-1-2-4-6-12-10(17)8-7-13-11(18)14-8/h7H,1-6H2,(H,12,17)(H,15,16)(H2,13,14,18)
InChIKeyCOLLLUXENISCFI-UHFFFAOYSA-N
MW255.27 g/mol
LogP0.47
Rot. Bonds8

About 7-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]heptanoic acid

7-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]heptanoic acid (PubChem CID 28791175) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 7-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]heptanoic acid.

Molecular Properties

Compound Name7-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]heptanoic acid
PubChem CID28791175
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name7-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]heptanoic acid
SMILESO=C(O)CCCCCCNC(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C11H17N3O4/c15-9(16)5-3-1-2-4-6-12-10(17)8-7-13-11(18)14-8/h7H,1-6H2,(H,12,17)(H,15,16)(H2,13,14,18)
InChIKeyCOLLLUXENISCFI-UHFFFAOYSA-N
XLogP0.47
TPSA115.05 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 50.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]heptanoic 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

6-[(2,6-Dioxo-1,3-dihydropyrimidin-4-yl)carbonylamino]hexanoic acid
CID 5039256
8-[(2,4-dioxo-1H-pyrimidin-5-yl)amino]-8-oxooctanoic acid
CID 68654646
8-[2-(Ethenylamino)prop-2-enoylamino]octanoic acid
CID 89351427
5-amino-1H-pyrimidine-2,4-dione;octanoic acid
CID 175319920
4-[[(2,4-dioxo-1H-pyrimidin-5-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 17275063
7-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]heptanoic acid
CID 24703343
6-[(2-Oxo-1,3-dihydroimidazole-4-carbonyl)amino]hexanoic acid
CID 28788693
(2S)-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidine-2-carboxylic acid
CID 28789966
(2R)-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidine-2-carboxylic acid
CID 28789969
1-[(2-Oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 28791141
7-[(6-oxo-1H-pyrazine-3-carbonyl)amino]heptanoic acid
CID 28791145
1-(2-Oxo-1,3-dihydroimidazole-4-carbonyl)piperidine-2-carboxylic acid
CID 43211121

Frequently Asked Questions

What is the IUPAC name of 7-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]heptanoic acid?
The IUPAC name of 7-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]heptanoic acid (CID 28791175) is 7-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]heptanoic acid.
What is the SMILES notation for 7-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]heptanoic acid?
The canonical SMILES for 7-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]heptanoic acid is O=C(O)CCCCCCNC(=O)c1c[nH]c(=O)[nH]1.
What is the InChIKey of 7-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]heptanoic acid?
The InChIKey is COLLLUXENISCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c15-9(16)5-3-1-2-4-6-12-10(17)8-7-13-11(18)14-8/h7H,1-6H2,(H,12,17)(H,15,16)(H2,13,14,18).
What are the key properties of 7-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]heptanoic acid?
7-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]heptanoic acid has a molecular weight of 255.27 g/mol, XLogP of 0.47, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]heptanoic acid is sourced from PubChem (CID 28791175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).