2-(2-cyanoimidazol-1-yl)pentanoic acid

C9H11N3O2 — CID 83038294

IUPAC2-(2-cyanoimidazol-1-yl)pentanoic acid
SMILESCCCC(C(=O)O)n1ccnc1C#N
InChIInChI=1S/C9H11N3O2/c1-2-3-7(9(13)14)12-5-4-11-8(12)6-10/h4-5,7H,2-3H2,1H3,(H,13,14)
InChIKeyYDHRIFKCVJQLMD-UHFFFAOYSA-N
MW193.21 g/mol
LogP1.18
Rot. Bonds4

About 2-(2-cyanoimidazol-1-yl)pentanoic acid

2-(2-cyanoimidazol-1-yl)pentanoic acid (PubChem CID 83038294) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 2-(2-cyanoimidazol-1-yl)pentanoic acid.

Molecular Properties

Compound Name2-(2-cyanoimidazol-1-yl)pentanoic acid
PubChem CID83038294
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name2-(2-cyanoimidazol-1-yl)pentanoic acid
SMILESCCCC(C(=O)O)n1ccnc1C#N
InChIInChI=1S/C9H11N3O2/c1-2-3-7(9(13)14)12-5-4-11-8(12)6-10/h4-5,7H,2-3H2,1H3,(H,13,14)
InChIKeyYDHRIFKCVJQLMD-UHFFFAOYSA-N
XLogP1.18
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanoimidazol-1-yl)pentanoic acid?
The IUPAC name of 2-(2-cyanoimidazol-1-yl)pentanoic acid (CID 83038294) is 2-(2-cyanoimidazol-1-yl)pentanoic acid.
What is the SMILES notation for 2-(2-cyanoimidazol-1-yl)pentanoic acid?
The canonical SMILES for 2-(2-cyanoimidazol-1-yl)pentanoic acid is CCCC(C(=O)O)n1ccnc1C#N.
What is the InChIKey of 2-(2-cyanoimidazol-1-yl)pentanoic acid?
The InChIKey is YDHRIFKCVJQLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-2-3-7(9(13)14)12-5-4-11-8(12)6-10/h4-5,7H,2-3H2,1H3,(H,13,14).
What are the key properties of 2-(2-cyanoimidazol-1-yl)pentanoic acid?
2-(2-cyanoimidazol-1-yl)pentanoic acid has a molecular weight of 193.21 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanoimidazol-1-yl)pentanoic acid is sourced from PubChem (CID 83038294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).