1-(3-methyloxan-3-yl)imidazole-4-carboxylic acid

C10H14N2O3 — CID 130481881

IUPAC1-(3-methyloxan-3-yl)imidazole-4-carboxylic acid
SMILESCC1(n2cnc(C(=O)O)c2)CCCOC1
InChIInChI=1S/C10H14N2O3/c1-10(3-2-4-15-6-10)12-5-8(9(13)14)11-7-12/h5,7H,2-4,6H2,1H3,(H,13,14)
InChIKeyFQOQJVWDZXMNBS-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.11
Rot. Bonds2

About 1-(3-methyloxan-3-yl)imidazole-4-carboxylic acid

1-(3-methyloxan-3-yl)imidazole-4-carboxylic acid (PubChem CID 130481881) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 1-(3-methyloxan-3-yl)imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-methyloxan-3-yl)imidazole-4-carboxylic acid
PubChem CID130481881
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name1-(3-methyloxan-3-yl)imidazole-4-carboxylic acid
SMILESCC1(n2cnc(C(=O)O)c2)CCCOC1
InChIInChI=1S/C10H14N2O3/c1-10(3-2-4-15-6-10)12-5-8(9(13)14)11-7-12/h5,7H,2-4,6H2,1H3,(H,13,14)
InChIKeyFQOQJVWDZXMNBS-UHFFFAOYSA-N
XLogP1.11
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyloxan-3-yl)imidazole-4-carboxylic acid?
The IUPAC name of 1-(3-methyloxan-3-yl)imidazole-4-carboxylic acid (CID 130481881) is 1-(3-methyloxan-3-yl)imidazole-4-carboxylic acid.
What is the SMILES notation for 1-(3-methyloxan-3-yl)imidazole-4-carboxylic acid?
The canonical SMILES for 1-(3-methyloxan-3-yl)imidazole-4-carboxylic acid is CC1(n2cnc(C(=O)O)c2)CCCOC1.
What is the InChIKey of 1-(3-methyloxan-3-yl)imidazole-4-carboxylic acid?
The InChIKey is FQOQJVWDZXMNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-10(3-2-4-15-6-10)12-5-8(9(13)14)11-7-12/h5,7H,2-4,6H2,1H3,(H,13,14).
What are the key properties of 1-(3-methyloxan-3-yl)imidazole-4-carboxylic acid?
1-(3-methyloxan-3-yl)imidazole-4-carboxylic acid has a molecular weight of 210.23 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyloxan-3-yl)imidazole-4-carboxylic acid is sourced from PubChem (CID 130481881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).