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

C8H14N2O2 — CID 66927099

IUPAC(8aR)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-3-carboxylic acid
SMILESO=C(O)C1CN2CCC[C@@H]2CN1
InChIInChI=1S/C8H14N2O2/c11-8(12)7-5-10-3-1-2-6(10)4-9-7/h6-7,9H,1-5H2,(H,11,12)/t6-,7?/m1/s1
InChIKeyVDGQKDZKZYPHSX-ULUSZKPHSA-N
MW170.21 g/mol
LogP-0.49
Rot. Bonds1

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

(8aR)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-3-carboxylic acid (PubChem CID 66927099) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is (8aR)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-3-carboxylic acid.

Molecular Properties

Compound Name(8aR)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-3-carboxylic acid
PubChem CID66927099
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name(8aR)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-3-carboxylic acid
SMILESO=C(O)C1CN2CCC[C@@H]2CN1
InChIInChI=1S/C8H14N2O2/c11-8(12)7-5-10-3-1-2-6(10)4-9-7/h6-7,9H,1-5H2,(H,11,12)/t6-,7?/m1/s1
InChIKeyVDGQKDZKZYPHSX-ULUSZKPHSA-N
XLogP-0.49
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (8aR)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-3-carboxylic acid with MolForge

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Related Compounds

methyl (3R,8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-3-carboxylate
CID 10583633
1-(1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-3-yl)propan-2-one
CID 82407616
(2R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-2-carboxylic acid
CID 98202645
(3S)-3-tert-butyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
CID 66523127
(8aS)-3-ethyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
CID 166931143
3-(chloromethyl)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
CID 130774969
1-(1,1-dioxothiolan-3-yl)piperidine-3-carboxylic acid
CID 16637312
(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(5-methylpiperazin-2-yl)methanone
CID 79938706
[(2S,4S)-4-hydroxypyrrolidin-2-yl]-[(3S)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone
CID 93375850
(4-hydroxypyrrolidin-2-yl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone;dihydrochloride
CID 119888269
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-hydroxypyrrolidin-2-yl)methanone;dihydrochloride
CID 119881530
1-(1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl)azetidine-3-carboxylic acid
CID 165477842

Frequently Asked Questions

What is the IUPAC name of (8aR)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-3-carboxylic acid?
The IUPAC name of (8aR)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-3-carboxylic acid (CID 66927099) is (8aR)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-3-carboxylic acid.
What is the SMILES notation for (8aR)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-3-carboxylic acid?
The canonical SMILES for (8aR)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-3-carboxylic acid is O=C(O)C1CN2CCC[C@@H]2CN1.
What is the InChIKey of (8aR)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-3-carboxylic acid?
The InChIKey is VDGQKDZKZYPHSX-ULUSZKPHSA-N. The full InChI is InChI=1S/C8H14N2O2/c11-8(12)7-5-10-3-1-2-6(10)4-9-7/h6-7,9H,1-5H2,(H,11,12)/t6-,7?/m1/s1.
What are the key properties of (8aR)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-3-carboxylic acid?
(8aR)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-3-carboxylic acid has a molecular weight of 170.21 g/mol, XLogP of -0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-3-carboxylic acid is sourced from PubChem (CID 66927099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).