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

C11H16N4O4 — CID 107836219

IUPAC2-hydroxy-4-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonylamino)butanoic acid
SMILESO=C(O)C(O)CCNC(=O)C1Cc2nc[nH]c2CN1
InChIInChI=1S/C11H16N4O4/c16-9(11(18)19)1-2-12-10(17)7-3-6-8(4-13-7)15-5-14-6/h5,7,9,13,16H,1-4H2,(H,12,17)(H,14,15)(H,18,19)
InChIKeyHGYQFOXVIUYVSP-UHFFFAOYSA-N
MW268.27 g/mol
LogP-1.62
Rot. Bonds5

About 2-hydroxy-4-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonylamino)butanoic acid

2-hydroxy-4-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonylamino)butanoic acid (PubChem CID 107836219) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-hydroxy-4-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonylamino)butanoic acid.

Molecular Properties

Compound Name2-hydroxy-4-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonylamino)butanoic acid
PubChem CID107836219
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Name2-hydroxy-4-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonylamino)butanoic acid
SMILESO=C(O)C(O)CCNC(=O)C1Cc2nc[nH]c2CN1
InChIInChI=1S/C11H16N4O4/c16-9(11(18)19)1-2-12-10(17)7-3-6-8(4-13-7)15-5-14-6/h5,7,9,13,16H,1-4H2,(H,12,17)(H,14,15)(H,18,19)
InChIKeyHGYQFOXVIUYVSP-UHFFFAOYSA-N
XLogP-1.62
TPSA127.34 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 5-1.62
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonylamino)methyl]butanoic acid
CID 79353924
N-(2-phenoxyethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 79352586
N-[2-[methyl(propan-2-yl)amino]ethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 79353844
N-(3-methylsulfonylpropyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 79353971
N-[2-(2-methoxyethoxy)ethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 79353705
N-[3-oxo-3-(propylamino)propyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 79354263
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 79352452
3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonylamino)butanoic acid
CID 79354042
N-[2-(2-methylprop-2-enoxy)ethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 114467962
N-[2-(2-hydroxyethyl)pentyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 106116635
N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 79362602
N-propan-2-yl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 74443132

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonylamino)butanoic acid?
The IUPAC name of 2-hydroxy-4-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonylamino)butanoic acid (CID 107836219) is 2-hydroxy-4-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonylamino)butanoic acid.
What is the SMILES notation for 2-hydroxy-4-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonylamino)butanoic acid?
The canonical SMILES for 2-hydroxy-4-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonylamino)butanoic acid is O=C(O)C(O)CCNC(=O)C1Cc2nc[nH]c2CN1.
What is the InChIKey of 2-hydroxy-4-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonylamino)butanoic acid?
The InChIKey is HGYQFOXVIUYVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4/c16-9(11(18)19)1-2-12-10(17)7-3-6-8(4-13-7)15-5-14-6/h5,7,9,13,16H,1-4H2,(H,12,17)(H,14,15)(H,18,19).
What are the key properties of 2-hydroxy-4-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonylamino)butanoic acid?
2-hydroxy-4-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonylamino)butanoic acid has a molecular weight of 268.27 g/mol, XLogP of -1.62, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonylamino)butanoic acid is sourced from PubChem (CID 107836219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).