(6R)-4-(2-methylpropyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid

C11H17N3O2 — CID 105480635

IUPAC(6R)-4-(2-methylpropyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCC(C)CC1N[C@@H](C(=O)O)Cc2[nH]cnc21
InChIInChI=1S/C11H17N3O2/c1-6(2)3-8-10-7(12-5-13-10)4-9(14-8)11(15)16/h5-6,8-9,14H,3-4H2,1-2H3,(H,12,13)(H,15,16)/t8?,9-/m1/s1
InChIKeyKIOBXRRHLIUTMZ-YGPZHTELSA-N
MW223.28 g/mol
LogP1.10
Rot. Bonds3

About (6R)-4-(2-methylpropyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid

(6R)-4-(2-methylpropyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 105480635) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is (6R)-4-(2-methylpropyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name(6R)-4-(2-methylpropyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
PubChem CID105480635
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name(6R)-4-(2-methylpropyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCC(C)CC1N[C@@H](C(=O)O)Cc2[nH]cnc21
InChIInChI=1S/C11H17N3O2/c1-6(2)3-8-10-7(12-5-13-10)4-9(14-8)11(15)16/h5-6,8-9,14H,3-4H2,1-2H3,(H,12,13)(H,15,16)/t8?,9-/m1/s1
InChIKeyKIOBXRRHLIUTMZ-YGPZHTELSA-N
XLogP1.10
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6R)-4-(2-methylpropyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid?
The IUPAC name of (6R)-4-(2-methylpropyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid (CID 105480635) is (6R)-4-(2-methylpropyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid.
What is the SMILES notation for (6R)-4-(2-methylpropyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid?
The canonical SMILES for (6R)-4-(2-methylpropyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid is CC(C)CC1N[C@@H](C(=O)O)Cc2[nH]cnc21.
What is the InChIKey of (6R)-4-(2-methylpropyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid?
The InChIKey is KIOBXRRHLIUTMZ-YGPZHTELSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-6(2)3-8-10-7(12-5-13-10)4-9(14-8)11(15)16/h5-6,8-9,14H,3-4H2,1-2H3,(H,12,13)(H,15,16)/t8?,9-/m1/s1.
What are the key properties of (6R)-4-(2-methylpropyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid?
(6R)-4-(2-methylpropyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid has a molecular weight of 223.28 g/mol, XLogP of 1.10, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-(2-methylpropyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 105480635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).