2-[3-(oxolan-2-ylmethyl)imidazol-4-yl]acetic acid

C10H14N2O3 — CID 83820777

IUPAC2-[3-(oxolan-2-ylmethyl)imidazol-4-yl]acetic acid
SMILESO=C(O)Cc1cncn1CC1CCCO1
InChIInChI=1S/C10H14N2O3/c13-10(14)4-8-5-11-7-12(8)6-9-2-1-3-15-9/h5,7,9H,1-4,6H2,(H,13,14)
InChIKeyMEYDIVAOXGMWPJ-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.69
Rot. Bonds4

About 2-[3-(oxolan-2-ylmethyl)imidazol-4-yl]acetic acid

2-[3-(oxolan-2-ylmethyl)imidazol-4-yl]acetic acid (PubChem CID 83820777) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-[3-(oxolan-2-ylmethyl)imidazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(oxolan-2-ylmethyl)imidazol-4-yl]acetic acid
PubChem CID83820777
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-[3-(oxolan-2-ylmethyl)imidazol-4-yl]acetic acid
SMILESO=C(O)Cc1cncn1CC1CCCO1
InChIInChI=1S/C10H14N2O3/c13-10(14)4-8-5-11-7-12(8)6-9-2-1-3-15-9/h5,7,9H,1-4,6H2,(H,13,14)
InChIKeyMEYDIVAOXGMWPJ-UHFFFAOYSA-N
XLogP0.69
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(oxolan-2-ylmethyl)imidazole-4-carbohydrazide
CID 133240205
2-[3-(oxan-2-ylmethyl)imidazol-4-yl]ethanamine
CID 114718438
2-methyl-1-[3-(oxolan-2-ylmethyl)imidazol-4-yl]propan-1-amine
CID 102969393
2-(3-ethylimidazol-4-yl)-2-(oxolan-2-ylmethylamino)acetic acid
CID 66134514
5-bromo-1-(oxolan-2-ylmethyl)pyrazol-4-ol
CID 117232249
3-methyl-1-[3-(oxan-2-ylmethyl)imidazol-4-yl]butan-1-amine
CID 114704529
3-(oxan-2-ylmethyl)benzimidazole-5-carboxylic acid
CID 82791226
2-[4-methyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanylacetic acid
CID 81336757
1-[3-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]ethanamine
CID 114705093
2-[3-(2,2-difluoropropyl)imidazol-4-yl]acetic acid
CID 84672043
2-(oxolan-2-ylmethylamino)-2-(3-propan-2-ylimidazol-4-yl)acetic acid
CID 66163626
1-(oxan-2-ylmethyl)benzimidazole-5-carboxylic acid
CID 54942703

Frequently Asked Questions

What is the IUPAC name of 2-[3-(oxolan-2-ylmethyl)imidazol-4-yl]acetic acid?
The IUPAC name of 2-[3-(oxolan-2-ylmethyl)imidazol-4-yl]acetic acid (CID 83820777) is 2-[3-(oxolan-2-ylmethyl)imidazol-4-yl]acetic acid.
What is the SMILES notation for 2-[3-(oxolan-2-ylmethyl)imidazol-4-yl]acetic acid?
The canonical SMILES for 2-[3-(oxolan-2-ylmethyl)imidazol-4-yl]acetic acid is O=C(O)Cc1cncn1CC1CCCO1.
What is the InChIKey of 2-[3-(oxolan-2-ylmethyl)imidazol-4-yl]acetic acid?
The InChIKey is MEYDIVAOXGMWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c13-10(14)4-8-5-11-7-12(8)6-9-2-1-3-15-9/h5,7,9H,1-4,6H2,(H,13,14).
What are the key properties of 2-[3-(oxolan-2-ylmethyl)imidazol-4-yl]acetic acid?
2-[3-(oxolan-2-ylmethyl)imidazol-4-yl]acetic acid has a molecular weight of 210.23 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(oxolan-2-ylmethyl)imidazol-4-yl]acetic acid is sourced from PubChem (CID 83820777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).