4-[[2-(hydroxymethyl)cyclopentyl]carbamoyl]-1H-imidazole-5-carboxylic acid

C11H15N3O4 — CID 106359274

IUPAC4-[[2-(hydroxymethyl)cyclopentyl]carbamoyl]-1H-imidazole-5-carboxylic acid
SMILESO=C(NC1CCCC1CO)c1nc[nH]c1C(=O)O
InChIInChI=1S/C11H15N3O4/c15-4-6-2-1-3-7(6)14-10(16)8-9(11(17)18)13-5-12-8/h5-7,15H,1-4H2,(H,12,13)(H,14,16)(H,17,18)
InChIKeyFWDHBUXIVRAIFS-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.00
Rot. Bonds4

About 4-[[2-(hydroxymethyl)cyclopentyl]carbamoyl]-1H-imidazole-5-carboxylic acid

4-[[2-(hydroxymethyl)cyclopentyl]carbamoyl]-1H-imidazole-5-carboxylic acid (PubChem CID 106359274) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 4-[[2-(hydroxymethyl)cyclopentyl]carbamoyl]-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(hydroxymethyl)cyclopentyl]carbamoyl]-1H-imidazole-5-carboxylic acid
PubChem CID106359274
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name4-[[2-(hydroxymethyl)cyclopentyl]carbamoyl]-1H-imidazole-5-carboxylic acid
SMILESO=C(NC1CCCC1CO)c1nc[nH]c1C(=O)O
InChIInChI=1S/C11H15N3O4/c15-4-6-2-1-3-7(6)14-10(16)8-9(11(17)18)13-5-12-8/h5-7,15H,1-4H2,(H,12,13)(H,14,16)(H,17,18)
InChIKeyFWDHBUXIVRAIFS-UHFFFAOYSA-N
XLogP-0.00
TPSA115.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(1R,2R)-2-hydroxycyclohexyl]carbamoyl]-1H-imidazole-5-carboxylic acid
CID 107214863
N-[2-(hydroxymethyl)cyclopentyl]-3H-benzimidazole-5-carboxamide
CID 103856996
N-[2-(hydroxymethyl)cyclopentyl]pyridine-4-carboxamide
CID 103751246
N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 85447885
[(1R,2R)-2-(hydroxymethyl)cyclohexyl]carbamic acid
CID 141194189
6-fluoro-N-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-1H-benzimidazole-4-carboxamide
CID 97076311
4-bromo-N-[2-(hydroxymethyl)cyclopentyl]-1H-pyrrole-2-carboxamide
CID 103774215
4-amino-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 113266858
3,5-dibromo-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103909256
5,6-dichloro-N-[2-(hydroxymethyl)cyclopentyl]pyridine-3-carboxamide
CID 103774208
N-[2-(hydroxymethyl)cyclopentyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 113259272
4-(3-cyclohexylsulfanylpropylcarbamoyl)-1H-imidazole-5-carboxylic acid
CID 74232219

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(hydroxymethyl)cyclopentyl]carbamoyl]-1H-imidazole-5-carboxylic acid?
The IUPAC name of 4-[[2-(hydroxymethyl)cyclopentyl]carbamoyl]-1H-imidazole-5-carboxylic acid (CID 106359274) is 4-[[2-(hydroxymethyl)cyclopentyl]carbamoyl]-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 4-[[2-(hydroxymethyl)cyclopentyl]carbamoyl]-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 4-[[2-(hydroxymethyl)cyclopentyl]carbamoyl]-1H-imidazole-5-carboxylic acid is O=C(NC1CCCC1CO)c1nc[nH]c1C(=O)O.
What is the InChIKey of 4-[[2-(hydroxymethyl)cyclopentyl]carbamoyl]-1H-imidazole-5-carboxylic acid?
The InChIKey is FWDHBUXIVRAIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c15-4-6-2-1-3-7(6)14-10(16)8-9(11(17)18)13-5-12-8/h5-7,15H,1-4H2,(H,12,13)(H,14,16)(H,17,18).
What are the key properties of 4-[[2-(hydroxymethyl)cyclopentyl]carbamoyl]-1H-imidazole-5-carboxylic acid?
4-[[2-(hydroxymethyl)cyclopentyl]carbamoyl]-1H-imidazole-5-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of -0.00, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(hydroxymethyl)cyclopentyl]carbamoyl]-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 106359274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).