2-(1H-imidazol-2-yl)-2-piperidin-1-ylacetic acid

C10H15N3O2 — CID 90259225

IUPAC2-(1H-imidazol-2-yl)-2-piperidin-1-ylacetic acid
SMILESO=C(O)C(c1ncc[nH]1)N1CCCCC1
InChIInChI=1S/C10H15N3O2/c14-10(15)8(9-11-4-5-12-9)13-6-2-1-3-7-13/h4-5,8H,1-3,6-7H2,(H,11,12)(H,14,15)
InChIKeyMVUAGGSQIBJGGE-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.02
Rot. Bonds3

About 2-(1H-imidazol-2-yl)-2-piperidin-1-ylacetic acid

2-(1H-imidazol-2-yl)-2-piperidin-1-ylacetic acid (PubChem CID 90259225) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-(1H-imidazol-2-yl)-2-piperidin-1-ylacetic acid.

Molecular Properties

Compound Name2-(1H-imidazol-2-yl)-2-piperidin-1-ylacetic acid
PubChem CID90259225
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name2-(1H-imidazol-2-yl)-2-piperidin-1-ylacetic acid
SMILESO=C(O)C(c1ncc[nH]1)N1CCCCC1
InChIInChI=1S/C10H15N3O2/c14-10(15)8(9-11-4-5-12-9)13-6-2-1-3-7-13/h4-5,8H,1-3,6-7H2,(H,11,12)(H,14,15)
InChIKeyMVUAGGSQIBJGGE-UHFFFAOYSA-N
XLogP1.02
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-yl)-2-piperidin-1-ylacetic acid?
The IUPAC name of 2-(1H-imidazol-2-yl)-2-piperidin-1-ylacetic acid (CID 90259225) is 2-(1H-imidazol-2-yl)-2-piperidin-1-ylacetic acid.
What is the SMILES notation for 2-(1H-imidazol-2-yl)-2-piperidin-1-ylacetic acid?
The canonical SMILES for 2-(1H-imidazol-2-yl)-2-piperidin-1-ylacetic acid is O=C(O)C(c1ncc[nH]1)N1CCCCC1.
What is the InChIKey of 2-(1H-imidazol-2-yl)-2-piperidin-1-ylacetic acid?
The InChIKey is MVUAGGSQIBJGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c14-10(15)8(9-11-4-5-12-9)13-6-2-1-3-7-13/h4-5,8H,1-3,6-7H2,(H,11,12)(H,14,15).
What are the key properties of 2-(1H-imidazol-2-yl)-2-piperidin-1-ylacetic acid?
2-(1H-imidazol-2-yl)-2-piperidin-1-ylacetic acid has a molecular weight of 209.25 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-yl)-2-piperidin-1-ylacetic acid is sourced from PubChem (CID 90259225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).