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

C10H14N2O3 — CID 115026773

IUPAC2-[2-(oxan-3-yl)-1H-imidazol-5-yl]acetic acid
SMILESO=C(O)Cc1cnc(C2CCCOC2)[nH]1
InChIInChI=1S/C10H14N2O3/c13-9(14)4-8-5-11-10(12-8)7-2-1-3-15-6-7/h5,7H,1-4,6H2,(H,11,12)(H,13,14)
InChIKeyNMGLHVACSXORNH-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.93
Rot. Bonds3

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

2-[2-(oxan-3-yl)-1H-imidazol-5-yl]acetic acid (PubChem CID 115026773) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-[2-(oxan-3-yl)-1H-imidazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(oxan-3-yl)-1H-imidazol-5-yl]acetic acid
PubChem CID115026773
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-[2-(oxan-3-yl)-1H-imidazol-5-yl]acetic acid
SMILESO=C(O)Cc1cnc(C2CCCOC2)[nH]1
InChIInChI=1S/C10H14N2O3/c13-9(14)4-8-5-11-10(12-8)7-2-1-3-15-6-7/h5,7H,1-4,6H2,(H,11,12)(H,13,14)
InChIKeyNMGLHVACSXORNH-UHFFFAOYSA-N
XLogP0.93
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxan-3-yl)-1H-imidazol-5-yl]acetic acid?
The IUPAC name of 2-[2-(oxan-3-yl)-1H-imidazol-5-yl]acetic acid (CID 115026773) is 2-[2-(oxan-3-yl)-1H-imidazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(oxan-3-yl)-1H-imidazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-(oxan-3-yl)-1H-imidazol-5-yl]acetic acid is O=C(O)Cc1cnc(C2CCCOC2)[nH]1.
What is the InChIKey of 2-[2-(oxan-3-yl)-1H-imidazol-5-yl]acetic acid?
The InChIKey is NMGLHVACSXORNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c13-9(14)4-8-5-11-10(12-8)7-2-1-3-15-6-7/h5,7H,1-4,6H2,(H,11,12)(H,13,14).
What are the key properties of 2-[2-(oxan-3-yl)-1H-imidazol-5-yl]acetic acid?
2-[2-(oxan-3-yl)-1H-imidazol-5-yl]acetic acid has a molecular weight of 210.23 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxan-3-yl)-1H-imidazol-5-yl]acetic acid is sourced from PubChem (CID 115026773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).