2-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)propanoic acid

C9H13N3O2 — CID 82400482

IUPAC2-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)propanoic acid
SMILESCC(C(=O)O)C1NCCc2[nH]cnc21
InChIInChI=1S/C9H13N3O2/c1-5(9(13)14)7-8-6(2-3-10-7)11-4-12-8/h4-5,7,10H,2-3H2,1H3,(H,11,12)(H,13,14)
InChIKeyPEDOYYOROYDVCI-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.32
Rot. Bonds2

About 2-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)propanoic acid

2-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)propanoic acid (PubChem CID 82400482) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)propanoic acid.

Molecular Properties

Compound Name2-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)propanoic acid
PubChem CID82400482
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name2-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)propanoic acid
SMILESCC(C(=O)O)C1NCCc2[nH]cnc21
InChIInChI=1S/C9H13N3O2/c1-5(9(13)14)7-8-6(2-3-10-7)11-4-12-8/h4-5,7,10H,2-3H2,1H3,(H,11,12)(H,13,14)
InChIKeyPEDOYYOROYDVCI-UHFFFAOYSA-N
XLogP0.32
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)propanoic acid?
The IUPAC name of 2-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)propanoic acid (CID 82400482) is 2-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)propanoic acid.
What is the SMILES notation for 2-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)propanoic acid?
The canonical SMILES for 2-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)propanoic acid is CC(C(=O)O)C1NCCc2[nH]cnc21.
What is the InChIKey of 2-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)propanoic acid?
The InChIKey is PEDOYYOROYDVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-5(9(13)14)7-8-6(2-3-10-7)11-4-12-8/h4-5,7,10H,2-3H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 2-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)propanoic acid?
2-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)propanoic acid has a molecular weight of 195.22 g/mol, XLogP of 0.32, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)propanoic acid is sourced from PubChem (CID 82400482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).