3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonylamino)butanoic acid

C11H16N4O3 — CID 79354042

IUPAC3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonylamino)butanoic acid
SMILESCC(CC(=O)O)NC(=O)C1Cc2nc[nH]c2CN1
InChIInChI=1S/C11H16N4O3/c1-6(2-10(16)17)15-11(18)8-3-7-9(4-12-8)14-5-13-7/h5-6,8,12H,2-4H2,1H3,(H,13,14)(H,15,18)(H,16,17)
InChIKeyVJZCEOBSNKLNGJ-UHFFFAOYSA-N
MW252.27 g/mol
LogP-0.60
Rot. Bonds4

About 3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonylamino)butanoic acid

3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonylamino)butanoic acid (PubChem CID 79354042) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonylamino)butanoic acid.

Molecular Properties

Compound Name3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonylamino)butanoic acid
PubChem CID79354042
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonylamino)butanoic acid
SMILESCC(CC(=O)O)NC(=O)C1Cc2nc[nH]c2CN1
InChIInChI=1S/C11H16N4O3/c1-6(2-10(16)17)15-11(18)8-3-7-9(4-12-8)14-5-13-7/h5-6,8,12H,2-4H2,1H3,(H,13,14)(H,15,18)(H,16,17)
InChIKeyVJZCEOBSNKLNGJ-UHFFFAOYSA-N
XLogP-0.60
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonylamino)butanoic acid?
The IUPAC name of 3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonylamino)butanoic acid (CID 79354042) is 3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonylamino)butanoic acid.
What is the SMILES notation for 3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonylamino)butanoic acid?
The canonical SMILES for 3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonylamino)butanoic acid is CC(CC(=O)O)NC(=O)C1Cc2nc[nH]c2CN1.
What is the InChIKey of 3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonylamino)butanoic acid?
The InChIKey is VJZCEOBSNKLNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-6(2-10(16)17)15-11(18)8-3-7-9(4-12-8)14-5-13-7/h5-6,8,12H,2-4H2,1H3,(H,13,14)(H,15,18)(H,16,17).
What are the key properties of 3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonylamino)butanoic acid?
3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonylamino)butanoic acid has a molecular weight of 252.27 g/mol, XLogP of -0.60, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonylamino)butanoic acid is sourced from PubChem (CID 79354042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).