(2R)-2-(4,5-dicyanoimidazol-1-yl)propanoic acid

C8H6N4O2 — CID 107427784

IUPAC(2R)-2-(4,5-dicyanoimidazol-1-yl)propanoic acid
SMILESC[C@H](C(=O)O)n1cnc(C#N)c1C#N
InChIInChI=1S/C8H6N4O2/c1-5(8(13)14)12-4-11-6(2-9)7(12)3-10/h4-5H,1H3,(H,13,14)/t5-/m1/s1
InChIKeyNPBZPKHFTAVYGN-RXMQYKEDSA-N
MW190.16 g/mol
LogP0.27
Rot. Bonds2

About (2R)-2-(4,5-dicyanoimidazol-1-yl)propanoic acid

(2R)-2-(4,5-dicyanoimidazol-1-yl)propanoic acid (PubChem CID 107427784) has the molecular formula C8H6N4O2 and a molecular weight of 190.16 g/mol. Its IUPAC name is (2R)-2-(4,5-dicyanoimidazol-1-yl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(4,5-dicyanoimidazol-1-yl)propanoic acid
PubChem CID107427784
Molecular FormulaC8H6N4O2
Molecular Weight190.16 g/mol
Exact Mass190.05
IUPAC Name(2R)-2-(4,5-dicyanoimidazol-1-yl)propanoic acid
SMILESC[C@H](C(=O)O)n1cnc(C#N)c1C#N
InChIInChI=1S/C8H6N4O2/c1-5(8(13)14)12-4-11-6(2-9)7(12)3-10/h4-5H,1H3,(H,13,14)/t5-/m1/s1
InChIKeyNPBZPKHFTAVYGN-RXMQYKEDSA-N
XLogP0.27
TPSA102.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.16
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-oxobutan-2-yl)imidazole-4,5-dicarbonitrile
CID 112595248
2-(4,5-dicyanoimidazol-1-yl)-2-phenylacetic acid
CID 112594969
1-pentan-2-ylimidazole-4,5-dicarbonitrile
CID 107887293
(2R)-2-(2-cyanoimidazol-1-yl)propanoic acid
CID 107427763
(2S)-2-(4,5-dimethylimidazol-1-yl)propanoic acid
CID 82413382
1-[1-(3,4-dichlorophenyl)ethyl]imidazole-4,5-dicarbonitrile
CID 12947421
1-(2-hydroxypropyl)imidazole-4,5-dicarbonitrile
CID 112595298
1-[2-amino-1-(4-chlorophenyl)propyl]imidazole-4,5-dicarbonitrile
CID 115944623
1-(3-oxobutyl)imidazole-4,5-dicarbonitrile
CID 112595254
1-[2-amino-1-(4-methoxyphenyl)propyl]imidazole-4,5-dicarbonitrile
CID 115944586
5-(4,5-dicyanoimidazol-1-yl)pentanoic acid
CID 112595008
1-[2-amino-1-(5-chlorothiophen-2-yl)propyl]imidazole-4,5-dicarbonitrile
CID 112594940

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4,5-dicyanoimidazol-1-yl)propanoic acid?
The IUPAC name of (2R)-2-(4,5-dicyanoimidazol-1-yl)propanoic acid (CID 107427784) is (2R)-2-(4,5-dicyanoimidazol-1-yl)propanoic acid.
What is the SMILES notation for (2R)-2-(4,5-dicyanoimidazol-1-yl)propanoic acid?
The canonical SMILES for (2R)-2-(4,5-dicyanoimidazol-1-yl)propanoic acid is C[C@H](C(=O)O)n1cnc(C#N)c1C#N.
What is the InChIKey of (2R)-2-(4,5-dicyanoimidazol-1-yl)propanoic acid?
The InChIKey is NPBZPKHFTAVYGN-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H6N4O2/c1-5(8(13)14)12-4-11-6(2-9)7(12)3-10/h4-5H,1H3,(H,13,14)/t5-/m1/s1.
What are the key properties of (2R)-2-(4,5-dicyanoimidazol-1-yl)propanoic acid?
(2R)-2-(4,5-dicyanoimidazol-1-yl)propanoic acid has a molecular weight of 190.16 g/mol, XLogP of 0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4,5-dicyanoimidazol-1-yl)propanoic acid is sourced from PubChem (CID 107427784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).