8a-(hydroxymethyl)-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine-2-carboxylic acid

C9H16N2O3 — CID 69177569

IUPAC8a-(hydroxymethyl)-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine-2-carboxylic acid
SMILESO=C(O)N1CCN2CCCC2(CO)C1
InChIInChI=1S/C9H16N2O3/c12-7-9-2-1-3-11(9)5-4-10(6-9)8(13)14/h12H,1-7H2,(H,13,14)
InChIKeyUIKCVMGCEJMQHV-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.19
Rot. Bonds1

About 8a-(hydroxymethyl)-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine-2-carboxylic acid

8a-(hydroxymethyl)-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine-2-carboxylic acid (PubChem CID 69177569) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 8a-(hydroxymethyl)-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name8a-(hydroxymethyl)-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine-2-carboxylic acid
PubChem CID69177569
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name8a-(hydroxymethyl)-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine-2-carboxylic acid
SMILESO=C(O)N1CCN2CCCC2(CO)C1
InChIInChI=1S/C9H16N2O3/c12-7-9-2-1-3-11(9)5-4-10(6-9)8(13)14/h12H,1-7H2,(H,13,14)
InChIKeyUIKCVMGCEJMQHV-UHFFFAOYSA-N
XLogP-0.19
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8a-(hydroxymethyl)-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine-2-carboxylic acid?
The IUPAC name of 8a-(hydroxymethyl)-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine-2-carboxylic acid (CID 69177569) is 8a-(hydroxymethyl)-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine-2-carboxylic acid.
What is the SMILES notation for 8a-(hydroxymethyl)-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine-2-carboxylic acid?
The canonical SMILES for 8a-(hydroxymethyl)-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine-2-carboxylic acid is O=C(O)N1CCN2CCCC2(CO)C1.
What is the InChIKey of 8a-(hydroxymethyl)-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine-2-carboxylic acid?
The InChIKey is UIKCVMGCEJMQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c12-7-9-2-1-3-11(9)5-4-10(6-9)8(13)14/h12H,1-7H2,(H,13,14).
What are the key properties of 8a-(hydroxymethyl)-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine-2-carboxylic acid?
8a-(hydroxymethyl)-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine-2-carboxylic acid has a molecular weight of 200.24 g/mol, XLogP of -0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-(hydroxymethyl)-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine-2-carboxylic acid is sourced from PubChem (CID 69177569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).