2-[5-(1-methylpyrrolidin-3-yl)-1H-imidazol-2-yl]acetic acid

C10H15N3O2 — CID 83848712

IUPAC2-[5-(1-methylpyrrolidin-3-yl)-1H-imidazol-2-yl]acetic acid
SMILESCN1CCC(c2cnc(CC(=O)O)[nH]2)C1
InChIInChI=1S/C10H15N3O2/c1-13-3-2-7(6-13)8-5-11-9(12-8)4-10(14)15/h5,7H,2-4,6H2,1H3,(H,11,12)(H,14,15)
InChIKeyJRNBDYXLSQLEDR-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.46
Rot. Bonds3

About 2-[5-(1-methylpyrrolidin-3-yl)-1H-imidazol-2-yl]acetic acid

2-[5-(1-methylpyrrolidin-3-yl)-1H-imidazol-2-yl]acetic acid (PubChem CID 83848712) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-[5-(1-methylpyrrolidin-3-yl)-1H-imidazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(1-methylpyrrolidin-3-yl)-1H-imidazol-2-yl]acetic acid
PubChem CID83848712
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name2-[5-(1-methylpyrrolidin-3-yl)-1H-imidazol-2-yl]acetic acid
SMILESCN1CCC(c2cnc(CC(=O)O)[nH]2)C1
InChIInChI=1S/C10H15N3O2/c1-13-3-2-7(6-13)8-5-11-9(12-8)4-10(14)15/h5,7H,2-4,6H2,1H3,(H,11,12)(H,14,15)
InChIKeyJRNBDYXLSQLEDR-UHFFFAOYSA-N
XLogP0.46
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 ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-methylpyrrolidin-3-yl)-1H-imidazol-2-yl]acetic acid?
The IUPAC name of 2-[5-(1-methylpyrrolidin-3-yl)-1H-imidazol-2-yl]acetic acid (CID 83848712) is 2-[5-(1-methylpyrrolidin-3-yl)-1H-imidazol-2-yl]acetic acid.
What is the SMILES notation for 2-[5-(1-methylpyrrolidin-3-yl)-1H-imidazol-2-yl]acetic acid?
The canonical SMILES for 2-[5-(1-methylpyrrolidin-3-yl)-1H-imidazol-2-yl]acetic acid is CN1CCC(c2cnc(CC(=O)O)[nH]2)C1.
What is the InChIKey of 2-[5-(1-methylpyrrolidin-3-yl)-1H-imidazol-2-yl]acetic acid?
The InChIKey is JRNBDYXLSQLEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-13-3-2-7(6-13)8-5-11-9(12-8)4-10(14)15/h5,7H,2-4,6H2,1H3,(H,11,12)(H,14,15).
What are the key properties of 2-[5-(1-methylpyrrolidin-3-yl)-1H-imidazol-2-yl]acetic acid?
2-[5-(1-methylpyrrolidin-3-yl)-1H-imidazol-2-yl]acetic acid has a molecular weight of 209.25 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-methylpyrrolidin-3-yl)-1H-imidazol-2-yl]acetic acid is sourced from PubChem (CID 83848712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).