4-[1H-imidazole-5-carbonyl(methyl)amino]oxolane-3-carboxylic acid

C10H13N3O4 — CID 66238171

IUPAC4-[1H-imidazole-5-carbonyl(methyl)amino]oxolane-3-carboxylic acid
SMILESCN(C(=O)c1cnc[nH]1)C1COCC1C(=O)O
InChIInChI=1S/C10H13N3O4/c1-13(9(14)7-2-11-5-12-7)8-4-17-3-6(8)10(15)16/h2,5-6,8H,3-4H2,1H3,(H,11,12)(H,15,16)
InChIKeyPHMFYGMRACISBP-UHFFFAOYSA-N
MW239.23 g/mol
LogP-0.42
Rot. Bonds3

About 4-[1H-imidazole-5-carbonyl(methyl)amino]oxolane-3-carboxylic acid

4-[1H-imidazole-5-carbonyl(methyl)amino]oxolane-3-carboxylic acid (PubChem CID 66238171) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 4-[1H-imidazole-5-carbonyl(methyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[1H-imidazole-5-carbonyl(methyl)amino]oxolane-3-carboxylic acid
PubChem CID66238171
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name4-[1H-imidazole-5-carbonyl(methyl)amino]oxolane-3-carboxylic acid
SMILESCN(C(=O)c1cnc[nH]1)C1COCC1C(=O)O
InChIInChI=1S/C10H13N3O4/c1-13(9(14)7-2-11-5-12-7)8-4-17-3-6(8)10(15)16/h2,5-6,8H,3-4H2,1H3,(H,11,12)(H,15,16)
InChIKeyPHMFYGMRACISBP-UHFFFAOYSA-N
XLogP-0.42
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-acetyl-1H-pyrrole-2-carbonyl)-methylamino]oxolane-3-carboxylic acid
CID 66236360
4-[(6-methoxypyridine-3-carbonyl)-methylamino]oxolane-3-carboxylic acid
CID 66236943
4-[(2-iodobenzoyl)-methylamino]oxolane-3-carboxylic acid
CID 66235348
4-[(1,5-dimethylpyrazole-4-carbonyl)-methylamino]oxolane-3-carboxylic acid
CID 66237371
4-[furan-2-carbonyl(methyl)amino]oxolane-3-carboxylic acid
CID 66237142
4-[[4-(dimethylamino)benzoyl]-methylamino]oxolane-3-carboxylic acid
CID 66235943
4-[methyl-(1-methylimidazole-4-carbonyl)amino]oxolane-3-carboxylic acid
CID 107971541
4-[(2,5-dimethylfuran-3-carbonyl)-methylamino]oxolane-3-carboxylic acid
CID 66236338
4-[methyl-(4-methylsulfanylbenzoyl)amino]oxolane-3-carboxylic acid
CID 66236756
4-[(2-bromofuran-3-carbonyl)-methylamino]oxolane-3-carboxylic acid
CID 106851090
4-[(1,5-dimethylpyrazole-3-carbonyl)-methylamino]oxolane-3-carboxylic acid
CID 114218928
4-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-methylamino]oxolane-3-carboxylic acid
CID 66235324

Frequently Asked Questions

What is the IUPAC name of 4-[1H-imidazole-5-carbonyl(methyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[1H-imidazole-5-carbonyl(methyl)amino]oxolane-3-carboxylic acid (CID 66238171) is 4-[1H-imidazole-5-carbonyl(methyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[1H-imidazole-5-carbonyl(methyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[1H-imidazole-5-carbonyl(methyl)amino]oxolane-3-carboxylic acid is CN(C(=O)c1cnc[nH]1)C1COCC1C(=O)O.
What is the InChIKey of 4-[1H-imidazole-5-carbonyl(methyl)amino]oxolane-3-carboxylic acid?
The InChIKey is PHMFYGMRACISBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-13(9(14)7-2-11-5-12-7)8-4-17-3-6(8)10(15)16/h2,5-6,8H,3-4H2,1H3,(H,11,12)(H,15,16).
What are the key properties of 4-[1H-imidazole-5-carbonyl(methyl)amino]oxolane-3-carboxylic acid?
4-[1H-imidazole-5-carbonyl(methyl)amino]oxolane-3-carboxylic acid has a molecular weight of 239.23 g/mol, XLogP of -0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1H-imidazole-5-carbonyl(methyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66238171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).