(6S)-4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5,6-dicarboxylic acid

C11H15N3O4 — CID 68566154

IUPAC(6S)-4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5,6-dicarboxylic acid
SMILESCC(C)C1c2nc[nH]c2C[C@@H](C(=O)O)N1C(=O)O
InChIInChI=1S/C11H15N3O4/c1-5(2)9-8-6(12-4-13-8)3-7(10(15)16)14(9)11(17)18/h4-5,7,9H,3H2,1-2H3,(H,12,13)(H,15,16)(H,17,18)/t7-,9?/m0/s1
InChIKeyJWUWQBXGYSUHFD-JAVCKPHESA-N
MW253.26 g/mol
LogP1.10
Rot. Bonds2

About (6S)-4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5,6-dicarboxylic acid

(6S)-4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5,6-dicarboxylic acid (PubChem CID 68566154) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is (6S)-4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5,6-dicarboxylic acid.

Molecular Properties

Compound Name(6S)-4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5,6-dicarboxylic acid
PubChem CID68566154
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name(6S)-4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5,6-dicarboxylic acid
SMILESCC(C)C1c2nc[nH]c2C[C@@H](C(=O)O)N1C(=O)O
InChIInChI=1S/C11H15N3O4/c1-5(2)9-8-6(12-4-13-8)3-7(10(15)16)14(9)11(17)18/h4-5,7,9H,3H2,1-2H3,(H,12,13)(H,15,16)(H,17,18)/t7-,9?/m0/s1
InChIKeyJWUWQBXGYSUHFD-JAVCKPHESA-N
XLogP1.10
TPSA106.52 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6S)-4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5,6-dicarboxylic acid?
The IUPAC name of (6S)-4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5,6-dicarboxylic acid (CID 68566154) is (6S)-4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5,6-dicarboxylic acid.
What is the SMILES notation for (6S)-4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5,6-dicarboxylic acid?
The canonical SMILES for (6S)-4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5,6-dicarboxylic acid is CC(C)C1c2nc[nH]c2C[C@@H](C(=O)O)N1C(=O)O.
What is the InChIKey of (6S)-4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5,6-dicarboxylic acid?
The InChIKey is JWUWQBXGYSUHFD-JAVCKPHESA-N. The full InChI is InChI=1S/C11H15N3O4/c1-5(2)9-8-6(12-4-13-8)3-7(10(15)16)14(9)11(17)18/h4-5,7,9H,3H2,1-2H3,(H,12,13)(H,15,16)(H,17,18)/t7-,9?/m0/s1.
What are the key properties of (6S)-4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5,6-dicarboxylic acid?
(6S)-4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5,6-dicarboxylic acid has a molecular weight of 253.26 g/mol, XLogP of 1.10, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5,6-dicarboxylic acid is sourced from PubChem (CID 68566154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).