4-[(5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl)methyl]piperidine-1-carboxylic acid

C14H17N3O3 — CID 69371608

IUPAC4-[(5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl)methyl]piperidine-1-carboxylic acid
SMILESO=C1NCc2nc(CC3CCN(C(=O)O)CC3)ccc21
InChIInChI=1S/C14H17N3O3/c18-13-11-2-1-10(16-12(11)8-15-13)7-9-3-5-17(6-4-9)14(19)20/h1-2,9H,3-8H2,(H,15,18)(H,19,20)
InChIKeySXGVBCLZBLGDQN-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.26
Rot. Bonds2

About 4-[(5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl)methyl]piperidine-1-carboxylic acid

4-[(5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl)methyl]piperidine-1-carboxylic acid (PubChem CID 69371608) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 4-[(5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl)methyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl)methyl]piperidine-1-carboxylic acid
PubChem CID69371608
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name4-[(5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl)methyl]piperidine-1-carboxylic acid
SMILESO=C1NCc2nc(CC3CCN(C(=O)O)CC3)ccc21
InChIInChI=1S/C14H17N3O3/c18-13-11-2-1-10(16-12(11)8-15-13)7-9-3-5-17(6-4-9)14(19)20/h1-2,9H,3-8H2,(H,15,18)(H,19,20)
InChIKeySXGVBCLZBLGDQN-UHFFFAOYSA-N
XLogP1.26
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl)methyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[(5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl)methyl]piperidine-1-carboxylic acid (CID 69371608) is 4-[(5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl)methyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[(5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl)methyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[(5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl)methyl]piperidine-1-carboxylic acid is O=C1NCc2nc(CC3CCN(C(=O)O)CC3)ccc21.
What is the InChIKey of 4-[(5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl)methyl]piperidine-1-carboxylic acid?
The InChIKey is SXGVBCLZBLGDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c18-13-11-2-1-10(16-12(11)8-15-13)7-9-3-5-17(6-4-9)14(19)20/h1-2,9H,3-8H2,(H,15,18)(H,19,20).
What are the key properties of 4-[(5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl)methyl]piperidine-1-carboxylic acid?
4-[(5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl)methyl]piperidine-1-carboxylic acid has a molecular weight of 275.31 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl)methyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 69371608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).