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

C8H14N2O2 — CID 129416087

IUPAC(7R,8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-7-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H]2CNCCN2C1
InChIInChI=1S/C8H14N2O2/c11-8(12)6-3-7-4-9-1-2-10(7)5-6/h6-7,9H,1-5H2,(H,11,12)/t6-,7+/m1/s1
InChIKeySCZZLFDVPWFXQR-RQJHMYQMSA-N
MW170.21 g/mol
LogP-0.64
Rot. Bonds1

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

(7R,8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-7-carboxylic acid (PubChem CID 129416087) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is (7R,8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-7-carboxylic acid.

Molecular Properties

Compound Name(7R,8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-7-carboxylic acid
PubChem CID129416087
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name(7R,8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-7-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H]2CNCCN2C1
InChIInChI=1S/C8H14N2O2/c11-8(12)6-3-7-4-9-1-2-10(7)5-6/h6-7,9H,1-5H2,(H,11,12)/t6-,7+/m1/s1
InChIKeySCZZLFDVPWFXQR-RQJHMYQMSA-N
XLogP-0.64
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 ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,5S)-5-(azetidin-1-yl)piperidine-3-carboxylic acid
CID 125457412
(7S,8aS)-N-benzhydryl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-7-carboxamide
CID 89466103
(3R)-3-piperazin-1-ylcyclohexane-1-carboxylic acid
CID 70920669
1-(azetidin-3-yl)piperidine-4-carboxylic acid
CID 146155819
(2R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-2-carboxylic acid
CID 98202645
1-methyl-1,4-diazepane-6-carboxylic acid
CID 23090475
ethane;7-fluoro-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
CID 144967260
4,7-dioxa-1,12-diazatricyclo[8.4.0.03,8]tetradecane
CID 69429134
(7R)-7-methoxy-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
CID 138719509
1,2,3,5,6,7,8,8a-octahydroimidazo[1,5-a]pyrazine
CID 22562213
(8R,9aS)-2,3,4,5,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a][1,4]diazepin-8-ol
CID 131022422
4-[[(2S,4S)-4-piperazin-1-ylpyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylic acid
CID 143486126

Frequently Asked Questions

What is the IUPAC name of (7R,8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-7-carboxylic acid?
The IUPAC name of (7R,8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-7-carboxylic acid (CID 129416087) is (7R,8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-7-carboxylic acid.
What is the SMILES notation for (7R,8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-7-carboxylic acid?
The canonical SMILES for (7R,8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-7-carboxylic acid is O=C(O)[C@@H]1C[C@H]2CNCCN2C1.
What is the InChIKey of (7R,8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-7-carboxylic acid?
The InChIKey is SCZZLFDVPWFXQR-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H14N2O2/c11-8(12)6-3-7-4-9-1-2-10(7)5-6/h6-7,9H,1-5H2,(H,11,12)/t6-,7+/m1/s1.
What are the key properties of (7R,8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-7-carboxylic acid?
(7R,8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-7-carboxylic acid has a molecular weight of 170.21 g/mol, XLogP of -0.64, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-7-carboxylic acid is sourced from PubChem (CID 129416087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).