trans-(1S,2S)-2-(5-pyridin-2-yl-1H-imidazol-2-yl)cyclopropane-1-carboxylic acid

C12H11N3O2 — CID 135377670

IUPACtrans-(1S,2S)-2-(5-pyridin-2-yl-1H-imidazol-2-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@H]1C[C@@H]1c1ncc(-c2ccccn2)[nH]1
InChIInChI=1S/C12H11N3O2/c16-12(17)8-5-7(8)11-14-6-10(15-11)9-3-1-2-4-13-9/h1-4,6-8H,5H2,(H,14,15)(H,16,17)/t7-,8-/m0/s1
InChIKeyJDVIKRLBEOTLSE-YUMQZZPRSA-N
MW229.24 g/mol
LogP1.66
Rot. Bonds3

About trans-(1S,2S)-2-(5-pyridin-2-yl-1H-imidazol-2-yl)cyclopropane-1-carboxylic acid

trans-(1S,2S)-2-(5-pyridin-2-yl-1H-imidazol-2-yl)cyclopropane-1-carboxylic acid (PubChem CID 135377670) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is trans-(1S,2S)-2-(5-pyridin-2-yl-1H-imidazol-2-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(5-pyridin-2-yl-1H-imidazol-2-yl)cyclopropane-1-carboxylic acid
PubChem CID135377670
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Nametrans-(1S,2S)-2-(5-pyridin-2-yl-1H-imidazol-2-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@H]1C[C@@H]1c1ncc(-c2ccccn2)[nH]1
InChIInChI=1S/C12H11N3O2/c16-12(17)8-5-7(8)11-14-6-10(15-11)9-3-1-2-4-13-9/h1-4,6-8H,5H2,(H,14,15)(H,16,17)/t7-,8-/m0/s1
InChIKeyJDVIKRLBEOTLSE-YUMQZZPRSA-N
XLogP1.66
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(5-pyridin-2-yl-1H-imidazol-2-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1S,2S)-2-(5-pyridin-2-yl-1H-imidazol-2-yl)cyclopropane-1-carboxylic acid (CID 135377670) is trans-(1S,2S)-2-(5-pyridin-2-yl-1H-imidazol-2-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1S,2S)-2-(5-pyridin-2-yl-1H-imidazol-2-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1S,2S)-2-(5-pyridin-2-yl-1H-imidazol-2-yl)cyclopropane-1-carboxylic acid is O=C(O)[C@H]1C[C@@H]1c1ncc(-c2ccccn2)[nH]1.
What is the InChIKey of trans-(1S,2S)-2-(5-pyridin-2-yl-1H-imidazol-2-yl)cyclopropane-1-carboxylic acid?
The InChIKey is JDVIKRLBEOTLSE-YUMQZZPRSA-N. The full InChI is InChI=1S/C12H11N3O2/c16-12(17)8-5-7(8)11-14-6-10(15-11)9-3-1-2-4-13-9/h1-4,6-8H,5H2,(H,14,15)(H,16,17)/t7-,8-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(5-pyridin-2-yl-1H-imidazol-2-yl)cyclopropane-1-carboxylic acid?
trans-(1S,2S)-2-(5-pyridin-2-yl-1H-imidazol-2-yl)cyclopropane-1-carboxylic acid has a molecular weight of 229.24 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(5-pyridin-2-yl-1H-imidazol-2-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 135377670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).