5-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]hexanoic acid

C10H15N3O4 — CID 82855211

IUPAC5-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C10H15N3O4/c1-6(3-2-4-8(14)15)12-9(16)7-5-11-10(17)13-7/h5-6H,2-4H2,1H3,(H,12,16)(H,14,15)(H2,11,13,17)
InChIKeyDWNUQIJDZBZMST-UHFFFAOYSA-N
MW241.25 g/mol
LogP0.08
Rot. Bonds6

About 5-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]hexanoic acid

5-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]hexanoic acid (PubChem CID 82855211) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is 5-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name5-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]hexanoic acid
PubChem CID82855211
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name5-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C10H15N3O4/c1-6(3-2-4-8(14)15)12-9(16)7-5-11-10(17)13-7/h5-6H,2-4H2,1H3,(H,12,16)(H,14,15)(H2,11,13,17)
InChIKeyDWNUQIJDZBZMST-UHFFFAOYSA-N
XLogP0.08
TPSA115.05 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 50.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]hexanoic acid
CID 43469889
3-methyl-4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid
CID 81063015
N-(4-hydroxy-3-methylbutan-2-yl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 115770821
methyl 4-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoate
CID 43407271
5-[(2-methyl-1H-indole-3-carbonyl)amino]hexanoic acid
CID 82845531
N-(4-hydroxy-2-methylbutyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 66109446
2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]oxyacetic acid
CID 63931173
5-[(2,6-difluorobenzoyl)amino]hexanoic acid
CID 82854153
N-[3-(methylamino)propyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 43600591
N-(2-amino-1-cyclopropylethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 65188854
5-[(2-fluorobenzoyl)amino]hexanoic acid
CID 82855274
5-[(2-chloro-6-methylpyrimidine-4-carbonyl)amino]hexanoic acid
CID 114219398

Frequently Asked Questions

What is the IUPAC name of 5-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]hexanoic acid?
The IUPAC name of 5-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]hexanoic acid (CID 82855211) is 5-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 5-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]hexanoic acid?
The canonical SMILES for 5-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]hexanoic acid is CC(CCCC(=O)O)NC(=O)c1c[nH]c(=O)[nH]1.
What is the InChIKey of 5-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]hexanoic acid?
The InChIKey is DWNUQIJDZBZMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-6(3-2-4-8(14)15)12-9(16)7-5-11-10(17)13-7/h5-6H,2-4H2,1H3,(H,12,16)(H,14,15)(H2,11,13,17).
What are the key properties of 5-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]hexanoic acid?
5-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]hexanoic acid has a molecular weight of 241.25 g/mol, XLogP of 0.08, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 82855211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).