4-[[(1S)-1-(furan-2-yl)ethyl]carbamoyl]-1H-imidazole-5-carboxylic acid

C11H11N3O4 — CID 81407932

IUPAC4-[[(1S)-1-(furan-2-yl)ethyl]carbamoyl]-1H-imidazole-5-carboxylic acid
SMILESC[C@H](NC(=O)c1nc[nH]c1C(=O)O)c1ccco1
InChIInChI=1S/C11H11N3O4/c1-6(7-3-2-4-18-7)14-10(15)8-9(11(16)17)13-5-12-8/h2-6H,1H3,(H,12,13)(H,14,15)(H,16,17)/t6-/m0/s1
InChIKeyIERYELACOCVRAI-LURJTMIESA-N
MW249.23 g/mol
LogP1.19
Rot. Bonds4

About 4-[[(1S)-1-(furan-2-yl)ethyl]carbamoyl]-1H-imidazole-5-carboxylic acid

4-[[(1S)-1-(furan-2-yl)ethyl]carbamoyl]-1H-imidazole-5-carboxylic acid (PubChem CID 81407932) has the molecular formula C11H11N3O4 and a molecular weight of 249.23 g/mol. Its IUPAC name is 4-[[(1S)-1-(furan-2-yl)ethyl]carbamoyl]-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[[(1S)-1-(furan-2-yl)ethyl]carbamoyl]-1H-imidazole-5-carboxylic acid
PubChem CID81407932
Molecular FormulaC11H11N3O4
Molecular Weight249.23 g/mol
Exact Mass249.07
IUPAC Name4-[[(1S)-1-(furan-2-yl)ethyl]carbamoyl]-1H-imidazole-5-carboxylic acid
SMILESC[C@H](NC(=O)c1nc[nH]c1C(=O)O)c1ccco1
InChIInChI=1S/C11H11N3O4/c1-6(7-3-2-4-18-7)14-10(15)8-9(11(16)17)13-5-12-8/h2-6H,1H3,(H,12,13)(H,14,15)(H,16,17)/t6-/m0/s1
InChIKeyIERYELACOCVRAI-LURJTMIESA-N
XLogP1.19
TPSA108.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(1R)-1-(1H-benzimidazol-2-yl)ethyl]carbamoyl]-1H-imidazole-5-carboxylic acid
CID 99945716
5-N-(furan-2-ylmethyl)-4-N-propan-2-yl-1H-imidazole-4,5-dicarboxamide
CID 50755921
6-[1-(furan-2-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 43429242
3-[[(1R)-1-(furan-2-yl)ethyl]carbamoyl]benzoic acid
CID 51704043
N-[1-(furan-2-yl)ethyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 51073359
N-[1-(furan-2-yl)ethyl]acetamide
CID 22460009
N-[(1S)-1-(furan-2-yl)ethyl]-2-(methylamino)benzamide
CID 81399463
5-N-[(1R)-1-(furan-2-yl)ethyl]-2-N-hydroxythiophene-2,5-dicarboxamide
CID 10401418
N-[1-(furan-2-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 18116946
4-amino-5-ethyl-N-[1-(furan-2-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 62082159
N-[1-(furan-2-yl)ethyl]-5-hydrazinylpyrazine-2-carboxamide
CID 107378104
4-[1-(furan-2-yl)ethylamino]-4-oxobutanoic acid
CID 43535656

Frequently Asked Questions

What is the IUPAC name of 4-[[(1S)-1-(furan-2-yl)ethyl]carbamoyl]-1H-imidazole-5-carboxylic acid?
The IUPAC name of 4-[[(1S)-1-(furan-2-yl)ethyl]carbamoyl]-1H-imidazole-5-carboxylic acid (CID 81407932) is 4-[[(1S)-1-(furan-2-yl)ethyl]carbamoyl]-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 4-[[(1S)-1-(furan-2-yl)ethyl]carbamoyl]-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 4-[[(1S)-1-(furan-2-yl)ethyl]carbamoyl]-1H-imidazole-5-carboxylic acid is C[C@H](NC(=O)c1nc[nH]c1C(=O)O)c1ccco1.
What is the InChIKey of 4-[[(1S)-1-(furan-2-yl)ethyl]carbamoyl]-1H-imidazole-5-carboxylic acid?
The InChIKey is IERYELACOCVRAI-LURJTMIESA-N. The full InChI is InChI=1S/C11H11N3O4/c1-6(7-3-2-4-18-7)14-10(15)8-9(11(16)17)13-5-12-8/h2-6H,1H3,(H,12,13)(H,14,15)(H,16,17)/t6-/m0/s1.
What are the key properties of 4-[[(1S)-1-(furan-2-yl)ethyl]carbamoyl]-1H-imidazole-5-carboxylic acid?
4-[[(1S)-1-(furan-2-yl)ethyl]carbamoyl]-1H-imidazole-5-carboxylic acid has a molecular weight of 249.23 g/mol, XLogP of 1.19, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1S)-1-(furan-2-yl)ethyl]carbamoyl]-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 81407932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).