2-pyrrolidin-1-yl-2-(1,2,5-trimethylimidazol-4-yl)acetic acid

C12H19N3O2 — CID 84741178

IUPAC2-pyrrolidin-1-yl-2-(1,2,5-trimethylimidazol-4-yl)acetic acid
SMILESCc1nc(C(C(=O)O)N2CCCC2)c(C)n1C
InChIInChI=1S/C12H19N3O2/c1-8-10(13-9(2)14(8)3)11(12(16)17)15-6-4-5-7-15/h11H,4-7H2,1-3H3,(H,16,17)
InChIKeyRIWOUIGRQNGQOD-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.26
Rot. Bonds3

About 2-pyrrolidin-1-yl-2-(1,2,5-trimethylimidazol-4-yl)acetic acid

2-pyrrolidin-1-yl-2-(1,2,5-trimethylimidazol-4-yl)acetic acid (PubChem CID 84741178) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-pyrrolidin-1-yl-2-(1,2,5-trimethylimidazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-pyrrolidin-1-yl-2-(1,2,5-trimethylimidazol-4-yl)acetic acid
PubChem CID84741178
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-pyrrolidin-1-yl-2-(1,2,5-trimethylimidazol-4-yl)acetic acid
SMILESCc1nc(C(C(=O)O)N2CCCC2)c(C)n1C
InChIInChI=1S/C12H19N3O2/c1-8-10(13-9(2)14(8)3)11(12(16)17)15-6-4-5-7-15/h11H,4-7H2,1-3H3,(H,16,17)
InChIKeyRIWOUIGRQNGQOD-UHFFFAOYSA-N
XLogP1.26
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-yl-2-(1,2,5-trimethylimidazol-4-yl)acetic acid?
The IUPAC name of 2-pyrrolidin-1-yl-2-(1,2,5-trimethylimidazol-4-yl)acetic acid (CID 84741178) is 2-pyrrolidin-1-yl-2-(1,2,5-trimethylimidazol-4-yl)acetic acid.
What is the SMILES notation for 2-pyrrolidin-1-yl-2-(1,2,5-trimethylimidazol-4-yl)acetic acid?
The canonical SMILES for 2-pyrrolidin-1-yl-2-(1,2,5-trimethylimidazol-4-yl)acetic acid is Cc1nc(C(C(=O)O)N2CCCC2)c(C)n1C.
What is the InChIKey of 2-pyrrolidin-1-yl-2-(1,2,5-trimethylimidazol-4-yl)acetic acid?
The InChIKey is RIWOUIGRQNGQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8-10(13-9(2)14(8)3)11(12(16)17)15-6-4-5-7-15/h11H,4-7H2,1-3H3,(H,16,17).
What are the key properties of 2-pyrrolidin-1-yl-2-(1,2,5-trimethylimidazol-4-yl)acetic acid?
2-pyrrolidin-1-yl-2-(1,2,5-trimethylimidazol-4-yl)acetic acid has a molecular weight of 237.30 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-yl-2-(1,2,5-trimethylimidazol-4-yl)acetic acid is sourced from PubChem (CID 84741178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).