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

C12H18N4O3 — CID 79353924

IUPAC2-[(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonylamino)methyl]butanoic acid
SMILESCCC(CNC(=O)C1Cc2nc[nH]c2CN1)C(=O)O
InChIInChI=1S/C12H18N4O3/c1-2-7(12(18)19)4-14-11(17)9-3-8-10(5-13-9)16-6-15-8/h6-7,9,13H,2-5H2,1H3,(H,14,17)(H,15,16)(H,18,19)
InChIKeyONBLVVNRQBHYBM-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.35
Rot. Bonds5

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

2-[(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonylamino)methyl]butanoic acid (PubChem CID 79353924) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonylamino)methyl]butanoic acid.

Molecular Properties

Compound Name2-[(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonylamino)methyl]butanoic acid
PubChem CID79353924
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name2-[(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonylamino)methyl]butanoic acid
SMILESCCC(CNC(=O)C1Cc2nc[nH]c2CN1)C(=O)O
InChIInChI=1S/C12H18N4O3/c1-2-7(12(18)19)4-14-11(17)9-3-8-10(5-13-9)16-6-15-8/h6-7,9,13H,2-5H2,1H3,(H,14,17)(H,15,16)(H,18,19)
InChIKeyONBLVVNRQBHYBM-UHFFFAOYSA-N
XLogP-0.35
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonylamino)methyl]butanoic acid?
The IUPAC name of 2-[(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonylamino)methyl]butanoic acid (CID 79353924) is 2-[(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonylamino)methyl]butanoic acid.
What is the SMILES notation for 2-[(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonylamino)methyl]butanoic acid?
The canonical SMILES for 2-[(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonylamino)methyl]butanoic acid is CCC(CNC(=O)C1Cc2nc[nH]c2CN1)C(=O)O.
What is the InChIKey of 2-[(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonylamino)methyl]butanoic acid?
The InChIKey is ONBLVVNRQBHYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-2-7(12(18)19)4-14-11(17)9-3-8-10(5-13-9)16-6-15-8/h6-7,9,13H,2-5H2,1H3,(H,14,17)(H,15,16)(H,18,19).
What are the key properties of 2-[(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonylamino)methyl]butanoic acid?
2-[(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonylamino)methyl]butanoic acid has a molecular weight of 266.30 g/mol, XLogP of -0.35, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonylamino)methyl]butanoic acid is sourced from PubChem (CID 79353924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).