3-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]oxolane-3-carboxylic acid

C9H11N3O5 — CID 64888237

IUPAC3-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]oxolane-3-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCOC1)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C9H11N3O5/c13-6(5-3-10-8(16)11-5)12-9(7(14)15)1-2-17-4-9/h3H,1-2,4H2,(H,12,13)(H,14,15)(H2,10,11,16)
InChIKeyGMQIDWIAUDLNOY-UHFFFAOYSA-N
MW241.20 g/mol
LogP-1.32
Rot. Bonds3

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

3-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]oxolane-3-carboxylic acid (PubChem CID 64888237) has the molecular formula C9H11N3O5 and a molecular weight of 241.20 g/mol. Its IUPAC name is 3-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]oxolane-3-carboxylic acid
PubChem CID64888237
Molecular FormulaC9H11N3O5
Molecular Weight241.20 g/mol
Exact Mass241.07
IUPAC Name3-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]oxolane-3-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCOC1)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C9H11N3O5/c13-6(5-3-10-8(16)11-5)12-9(7(14)15)1-2-17-4-9/h3H,1-2,4H2,(H,12,13)(H,14,15)(H2,10,11,16)
InChIKeyGMQIDWIAUDLNOY-UHFFFAOYSA-N
XLogP-1.32
TPSA124.28 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 5-1.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2H-triazole-4-carbonylamino)oxolane-3-carboxylic acid
CID 64890738
3-(1H-indole-2-carbonylamino)oxolane-3-carboxylic acid
CID 64890184
(3S)-3-[(3,5-dihydroxybenzoyl)amino]oxolane-3-carboxylic acid
CID 141279182
3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]oxolane-3-carboxylic acid
CID 64889001
3-[(3,5-dibromobenzoyl)amino]oxolane-3-carboxylic acid
CID 107971497
3-[(3,4,5-trifluorobenzoyl)amino]oxolane-3-carboxylic acid
CID 64890377
3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]oxolane-3-carboxylic acid
CID 64888311
3-[(2-methyl-1H-indole-3-carbonyl)amino]oxolane-3-carboxylic acid
CID 64888814
3-(1H-indazole-3-carbonylamino)oxolane-3-carboxylic acid
CID 64888218
3-[(5-fluoropyridine-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 104638297
3-[[4-(dimethylamino)benzoyl]amino]oxolane-3-carboxylic acid
CID 64890394
3-[(5-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 59621215

Frequently Asked Questions

What is the IUPAC name of 3-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]oxolane-3-carboxylic acid (CID 64888237) is 3-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]oxolane-3-carboxylic acid is O=C(NC1(C(=O)O)CCOC1)c1c[nH]c(=O)[nH]1.
What is the InChIKey of 3-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]oxolane-3-carboxylic acid?
The InChIKey is GMQIDWIAUDLNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O5/c13-6(5-3-10-8(16)11-5)12-9(7(14)15)1-2-17-4-9/h3H,1-2,4H2,(H,12,13)(H,14,15)(H2,10,11,16).
What are the key properties of 3-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]oxolane-3-carboxylic acid?
3-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]oxolane-3-carboxylic acid has a molecular weight of 241.20 g/mol, XLogP of -1.32, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 64888237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).