1-(oxetan-2-ylmethyl)imidazo[1,2-a]imidazole-5-carboxylic acid

C10H11N3O3 — CID 175848590

IUPAC1-(oxetan-2-ylmethyl)imidazo[1,2-a]imidazole-5-carboxylic acid
SMILESO=C(O)c1cnc2n(CC3CCO3)ccn12
InChIInChI=1S/C10H11N3O3/c14-9(15)8-5-11-10-12(2-3-13(8)10)6-7-1-4-16-7/h2-3,5,7H,1,4,6H2,(H,14,15)
InChIKeyRMEOYLNMZWWDCT-UHFFFAOYSA-N
MW221.22 g/mol
LogP0.62
Rot. Bonds3

About 1-(oxetan-2-ylmethyl)imidazo[1,2-a]imidazole-5-carboxylic acid

1-(oxetan-2-ylmethyl)imidazo[1,2-a]imidazole-5-carboxylic acid (PubChem CID 175848590) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is 1-(oxetan-2-ylmethyl)imidazo[1,2-a]imidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-(oxetan-2-ylmethyl)imidazo[1,2-a]imidazole-5-carboxylic acid
PubChem CID175848590
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name1-(oxetan-2-ylmethyl)imidazo[1,2-a]imidazole-5-carboxylic acid
SMILESO=C(O)c1cnc2n(CC3CCO3)ccn12
InChIInChI=1S/C10H11N3O3/c14-9(15)8-5-11-10-12(2-3-13(8)10)6-7-1-4-16-7/h2-3,5,7H,1,4,6H2,(H,14,15)
InChIKeyRMEOYLNMZWWDCT-UHFFFAOYSA-N
XLogP0.62
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6-(chloromethyl)-7-(oxetan-2-ylmethyl)imidazo[1,2-a]imidazole-3-carboxylate
CID 162517419
4-iodo-1-(oxan-2-ylmethyl)pyrrole-2-carboxylic acid
CID 114604632
4-acetyl-1-(oxan-2-ylmethyl)pyrrole-2-carboxylic acid
CID 114604636
7-ethynyl-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylic acid
CID 175894977
1-(oxetan-2-ylmethyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid
CID 175848581
2-[3-(oxolan-2-ylmethyl)imidazol-4-yl]acetic acid
CID 83820777
1-(oxan-2-ylmethyl)benzimidazole-5-carboxylic acid
CID 54942703
3-(oxan-2-ylmethyl)benzimidazole-5-carboxylic acid
CID 82791226
1-(oxetan-2-ylmethyl)indazole-5-carboxylic acid
CID 155191752
1-(oxan-2-ylmethyl)indole-5-carboxylic acid
CID 63935795
1-(oxolan-2-ylmethyl)indole-5-carboxylic acid
CID 63749653
3-(oxolan-2-ylmethyl)imidazole-4-carbohydrazide
CID 133240205

Frequently Asked Questions

What is the IUPAC name of 1-(oxetan-2-ylmethyl)imidazo[1,2-a]imidazole-5-carboxylic acid?
The IUPAC name of 1-(oxetan-2-ylmethyl)imidazo[1,2-a]imidazole-5-carboxylic acid (CID 175848590) is 1-(oxetan-2-ylmethyl)imidazo[1,2-a]imidazole-5-carboxylic acid.
What is the SMILES notation for 1-(oxetan-2-ylmethyl)imidazo[1,2-a]imidazole-5-carboxylic acid?
The canonical SMILES for 1-(oxetan-2-ylmethyl)imidazo[1,2-a]imidazole-5-carboxylic acid is O=C(O)c1cnc2n(CC3CCO3)ccn12.
What is the InChIKey of 1-(oxetan-2-ylmethyl)imidazo[1,2-a]imidazole-5-carboxylic acid?
The InChIKey is RMEOYLNMZWWDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c14-9(15)8-5-11-10-12(2-3-13(8)10)6-7-1-4-16-7/h2-3,5,7H,1,4,6H2,(H,14,15).
What are the key properties of 1-(oxetan-2-ylmethyl)imidazo[1,2-a]imidazole-5-carboxylic acid?
1-(oxetan-2-ylmethyl)imidazo[1,2-a]imidazole-5-carboxylic acid has a molecular weight of 221.22 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxetan-2-ylmethyl)imidazo[1,2-a]imidazole-5-carboxylic acid is sourced from PubChem (CID 175848590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).