5-(2-methylpropoxycarbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid

C12H17N3O4 — CID 79343558

IUPAC5-(2-methylpropoxycarbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCC(C)COC(=O)N1Cc2[nH]cnc2CC1C(=O)O
InChIInChI=1S/C12H17N3O4/c1-7(2)5-19-12(18)15-4-9-8(13-6-14-9)3-10(15)11(16)17/h6-7,10H,3-5H2,1-2H3,(H,13,14)(H,16,17)
InChIKeyGSPNBHAJDKBKOO-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.01
Rot. Bonds3

About 5-(2-methylpropoxycarbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid

5-(2-methylpropoxycarbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 79343558) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 5-(2-methylpropoxycarbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name5-(2-methylpropoxycarbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
PubChem CID79343558
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name5-(2-methylpropoxycarbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCC(C)COC(=O)N1Cc2[nH]cnc2CC1C(=O)O
InChIInChI=1S/C12H17N3O4/c1-7(2)5-19-12(18)15-4-9-8(13-6-14-9)3-10(15)11(16)17/h6-7,10H,3-5H2,1-2H3,(H,13,14)(H,16,17)
InChIKeyGSPNBHAJDKBKOO-UHFFFAOYSA-N
XLogP1.01
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropoxycarbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The IUPAC name of 5-(2-methylpropoxycarbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (CID 79343558) is 5-(2-methylpropoxycarbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 5-(2-methylpropoxycarbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The canonical SMILES for 5-(2-methylpropoxycarbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is CC(C)COC(=O)N1Cc2[nH]cnc2CC1C(=O)O.
What is the InChIKey of 5-(2-methylpropoxycarbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The InChIKey is GSPNBHAJDKBKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-7(2)5-19-12(18)15-4-9-8(13-6-14-9)3-10(15)11(16)17/h6-7,10H,3-5H2,1-2H3,(H,13,14)(H,16,17).
What are the key properties of 5-(2-methylpropoxycarbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
5-(2-methylpropoxycarbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid has a molecular weight of 267.28 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropoxycarbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 79343558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).