2-(5-methyl-1H-imidazol-4-yl)-2-pyrrolidin-1-ylacetic acid

C10H15N3O2 — CID 84739922

IUPAC2-(5-methyl-1H-imidazol-4-yl)-2-pyrrolidin-1-ylacetic acid
SMILESCc1[nH]cnc1C(C(=O)O)N1CCCC1
InChIInChI=1S/C10H15N3O2/c1-7-8(12-6-11-7)9(10(14)15)13-4-2-3-5-13/h6,9H,2-5H2,1H3,(H,11,12)(H,14,15)
InChIKeyQEQLBRIBGFOYIU-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.94
Rot. Bonds3

About 2-(5-methyl-1H-imidazol-4-yl)-2-pyrrolidin-1-ylacetic acid

2-(5-methyl-1H-imidazol-4-yl)-2-pyrrolidin-1-ylacetic acid (PubChem CID 84739922) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-(5-methyl-1H-imidazol-4-yl)-2-pyrrolidin-1-ylacetic acid.

Molecular Properties

Compound Name2-(5-methyl-1H-imidazol-4-yl)-2-pyrrolidin-1-ylacetic acid
PubChem CID84739922
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name2-(5-methyl-1H-imidazol-4-yl)-2-pyrrolidin-1-ylacetic acid
SMILESCc1[nH]cnc1C(C(=O)O)N1CCCC1
InChIInChI=1S/C10H15N3O2/c1-7-8(12-6-11-7)9(10(14)15)13-4-2-3-5-13/h6,9H,2-5H2,1H3,(H,11,12)(H,14,15)
InChIKeyQEQLBRIBGFOYIU-UHFFFAOYSA-N
XLogP0.94
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 ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-Me-IAA
CID 22359367
3H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-4-carboxylic acid dihydrochloride
CID 67945944
2-(5-methyl-1H-imidazol-4-yl)acetic acid hydrochloride
CID 86811824
(4R)-5-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
CID 95891559
4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid
CID 22575006
2-amino-2-(2-fluoro-5-methyl-1H-imidazol-4-yl)acetic acid
CID 178096030
2-amino-2-(4-methyl-1H-imidazol-5-yl)acetic acid
CID 3662394
Methyl 4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-4-carboxylate
CID 22414717
2-(4-ethyl-1H-imidazol-5-yl)acetic acid
CID 59767695
2-methyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid
CID 82408533
2-(5-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-4-yl)acetic acid
CID 121354816
2-aminoacetic acid;2-[4-(carboxymethyl)-1H-imidazol-5-yl]acetic acid
CID 176300521

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1H-imidazol-4-yl)-2-pyrrolidin-1-ylacetic acid?
The IUPAC name of 2-(5-methyl-1H-imidazol-4-yl)-2-pyrrolidin-1-ylacetic acid (CID 84739922) is 2-(5-methyl-1H-imidazol-4-yl)-2-pyrrolidin-1-ylacetic acid.
What is the SMILES notation for 2-(5-methyl-1H-imidazol-4-yl)-2-pyrrolidin-1-ylacetic acid?
The canonical SMILES for 2-(5-methyl-1H-imidazol-4-yl)-2-pyrrolidin-1-ylacetic acid is Cc1[nH]cnc1C(C(=O)O)N1CCCC1.
What is the InChIKey of 2-(5-methyl-1H-imidazol-4-yl)-2-pyrrolidin-1-ylacetic acid?
The InChIKey is QEQLBRIBGFOYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-7-8(12-6-11-7)9(10(14)15)13-4-2-3-5-13/h6,9H,2-5H2,1H3,(H,11,12)(H,14,15).
What are the key properties of 2-(5-methyl-1H-imidazol-4-yl)-2-pyrrolidin-1-ylacetic acid?
2-(5-methyl-1H-imidazol-4-yl)-2-pyrrolidin-1-ylacetic acid has a molecular weight of 209.25 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1H-imidazol-4-yl)-2-pyrrolidin-1-ylacetic acid is sourced from PubChem (CID 84739922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).