1,4-dihydroxy-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-6-carboxylic acid

C8H14N2O4 — CID 67355004

IUPAC1,4-dihydroxy-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-6-carboxylic acid
SMILESO=C(O)C1CCC2C(O)NCC(O)N12
InChIInChI=1S/C8H14N2O4/c11-6-3-9-7(12)4-1-2-5(8(13)14)10(4)6/h4-7,9,11-12H,1-3H2,(H,13,14)
InChIKeyKHOIDZJHDIXQSK-UHFFFAOYSA-N
MW202.21 g/mol
LogP-1.86
Rot. Bonds1

About 1,4-dihydroxy-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-6-carboxylic acid

1,4-dihydroxy-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-6-carboxylic acid (PubChem CID 67355004) has the molecular formula C8H14N2O4 and a molecular weight of 202.21 g/mol. Its IUPAC name is 1,4-dihydroxy-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-6-carboxylic acid.

Molecular Properties

Compound Name1,4-dihydroxy-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-6-carboxylic acid
PubChem CID67355004
Molecular FormulaC8H14N2O4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Name1,4-dihydroxy-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-6-carboxylic acid
SMILESO=C(O)C1CCC2C(O)NCC(O)N12
InChIInChI=1S/C8H14N2O4/c11-6-3-9-7(12)4-1-2-5(8(13)14)10(4)6/h4-7,9,11-12H,1-3H2,(H,13,14)
InChIKeyKHOIDZJHDIXQSK-UHFFFAOYSA-N
XLogP-1.86
TPSA93.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-1.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,4-dihydroxy-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-6-carboxylic acid?
The IUPAC name of 1,4-dihydroxy-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-6-carboxylic acid (CID 67355004) is 1,4-dihydroxy-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-6-carboxylic acid.
What is the SMILES notation for 1,4-dihydroxy-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-6-carboxylic acid?
The canonical SMILES for 1,4-dihydroxy-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-6-carboxylic acid is O=C(O)C1CCC2C(O)NCC(O)N12.
What is the InChIKey of 1,4-dihydroxy-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-6-carboxylic acid?
The InChIKey is KHOIDZJHDIXQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4/c11-6-3-9-7(12)4-1-2-5(8(13)14)10(4)6/h4-7,9,11-12H,1-3H2,(H,13,14).
What are the key properties of 1,4-dihydroxy-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-6-carboxylic acid?
1,4-dihydroxy-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-6-carboxylic acid has a molecular weight of 202.21 g/mol, XLogP of -1.86, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dihydroxy-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-6-carboxylic acid is sourced from PubChem (CID 67355004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).