2-(3-aminopropyl)-1-(1-pyridin-4-ylimidazol-4-yl)cyclopropane-1-carboxylic acid

C15H18N4O2 — CID 53390448

IUPAC2-(3-aminopropyl)-1-(1-pyridin-4-ylimidazol-4-yl)cyclopropane-1-carboxylic acid
SMILESNCCCC1CC1(C(=O)O)c1cn(-c2ccncc2)cn1
InChIInChI=1S/C15H18N4O2/c16-5-1-2-11-8-15(11,14(20)21)13-9-19(10-18-13)12-3-6-17-7-4-12/h3-4,6-7,9-11H,1-2,5,8,16H2,(H,20,21)
InChIKeyHFYQKUHQLFDAFL-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.35
Rot. Bonds6

About 2-(3-aminopropyl)-1-(1-pyridin-4-ylimidazol-4-yl)cyclopropane-1-carboxylic acid

2-(3-aminopropyl)-1-(1-pyridin-4-ylimidazol-4-yl)cyclopropane-1-carboxylic acid (PubChem CID 53390448) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-(3-aminopropyl)-1-(1-pyridin-4-ylimidazol-4-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(3-aminopropyl)-1-(1-pyridin-4-ylimidazol-4-yl)cyclopropane-1-carboxylic acid
PubChem CID53390448
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name2-(3-aminopropyl)-1-(1-pyridin-4-ylimidazol-4-yl)cyclopropane-1-carboxylic acid
SMILESNCCCC1CC1(C(=O)O)c1cn(-c2ccncc2)cn1
InChIInChI=1S/C15H18N4O2/c16-5-1-2-11-8-15(11,14(20)21)13-9-19(10-18-13)12-3-6-17-7-4-12/h3-4,6-7,9-11H,1-2,5,8,16H2,(H,20,21)
InChIKeyHFYQKUHQLFDAFL-UHFFFAOYSA-N
XLogP1.35
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropyl)-1-(1-pyridin-4-ylimidazol-4-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(3-aminopropyl)-1-(1-pyridin-4-ylimidazol-4-yl)cyclopropane-1-carboxylic acid (CID 53390448) is 2-(3-aminopropyl)-1-(1-pyridin-4-ylimidazol-4-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(3-aminopropyl)-1-(1-pyridin-4-ylimidazol-4-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(3-aminopropyl)-1-(1-pyridin-4-ylimidazol-4-yl)cyclopropane-1-carboxylic acid is NCCCC1CC1(C(=O)O)c1cn(-c2ccncc2)cn1.
What is the InChIKey of 2-(3-aminopropyl)-1-(1-pyridin-4-ylimidazol-4-yl)cyclopropane-1-carboxylic acid?
The InChIKey is HFYQKUHQLFDAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c16-5-1-2-11-8-15(11,14(20)21)13-9-19(10-18-13)12-3-6-17-7-4-12/h3-4,6-7,9-11H,1-2,5,8,16H2,(H,20,21).
What are the key properties of 2-(3-aminopropyl)-1-(1-pyridin-4-ylimidazol-4-yl)cyclopropane-1-carboxylic acid?
2-(3-aminopropyl)-1-(1-pyridin-4-ylimidazol-4-yl)cyclopropane-1-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropyl)-1-(1-pyridin-4-ylimidazol-4-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 53390448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).