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

C11H17N3O2 — CID 83849905

IUPAC2-[5-[(1-methylpyrrolidin-3-yl)methyl]-1H-imidazol-2-yl]acetic acid
SMILESCN1CCC(Cc2cnc(CC(=O)O)[nH]2)C1
InChIInChI=1S/C11H17N3O2/c1-14-3-2-8(7-14)4-9-6-12-10(13-9)5-11(15)16/h6,8H,2-5,7H2,1H3,(H,12,13)(H,15,16)
InChIKeyWBZISQIIUBMAHI-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.53
Rot. Bonds4

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

2-[5-[(1-methylpyrrolidin-3-yl)methyl]-1H-imidazol-2-yl]acetic acid (PubChem CID 83849905) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-[5-[(1-methylpyrrolidin-3-yl)methyl]-1H-imidazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[(1-methylpyrrolidin-3-yl)methyl]-1H-imidazol-2-yl]acetic acid
PubChem CID83849905
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-[5-[(1-methylpyrrolidin-3-yl)methyl]-1H-imidazol-2-yl]acetic acid
SMILESCN1CCC(Cc2cnc(CC(=O)O)[nH]2)C1
InChIInChI=1S/C11H17N3O2/c1-14-3-2-8(7-14)4-9-6-12-10(13-9)5-11(15)16/h6,8H,2-5,7H2,1H3,(H,12,13)(H,15,16)
InChIKeyWBZISQIIUBMAHI-UHFFFAOYSA-N
XLogP0.53
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.53
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)methyl]-1H-imidazol-2-yl]acetic acid?
The IUPAC name of 2-[5-[(1-methylpyrrolidin-3-yl)methyl]-1H-imidazol-2-yl]acetic acid (CID 83849905) is 2-[5-[(1-methylpyrrolidin-3-yl)methyl]-1H-imidazol-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[(1-methylpyrrolidin-3-yl)methyl]-1H-imidazol-2-yl]acetic acid?
The canonical SMILES for 2-[5-[(1-methylpyrrolidin-3-yl)methyl]-1H-imidazol-2-yl]acetic acid is CN1CCC(Cc2cnc(CC(=O)O)[nH]2)C1.
What is the InChIKey of 2-[5-[(1-methylpyrrolidin-3-yl)methyl]-1H-imidazol-2-yl]acetic acid?
The InChIKey is WBZISQIIUBMAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-14-3-2-8(7-14)4-9-6-12-10(13-9)5-11(15)16/h6,8H,2-5,7H2,1H3,(H,12,13)(H,15,16).
What are the key properties of 2-[5-[(1-methylpyrrolidin-3-yl)methyl]-1H-imidazol-2-yl]acetic acid?
2-[5-[(1-methylpyrrolidin-3-yl)methyl]-1H-imidazol-2-yl]acetic acid has a molecular weight of 223.28 g/mol, XLogP of 0.53, 4 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)methyl]-1H-imidazol-2-yl]acetic acid is sourced from PubChem (CID 83849905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).