2-hydroxy-2-methyl-3-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)propanoic acid

C11H18N2O4 — CID 82863871

IUPAC2-hydroxy-2-methyl-3-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)propanoic acid
SMILESCC(O)(CN1CCN2C(=O)CCC2C1)C(=O)O
InChIInChI=1S/C11H18N2O4/c1-11(17,10(15)16)7-12-4-5-13-8(6-12)2-3-9(13)14/h8,17H,2-7H2,1H3,(H,15,16)
InChIKeyAPNARBCOLVKGON-UHFFFAOYSA-N
MW242.27 g/mol
LogP-0.87
Rot. Bonds3

About 2-hydroxy-2-methyl-3-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)propanoic acid

2-hydroxy-2-methyl-3-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)propanoic acid (PubChem CID 82863871) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)propanoic acid
PubChem CID82863871
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name2-hydroxy-2-methyl-3-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)propanoic acid
SMILESCC(O)(CN1CCN2C(=O)CCC2C1)C(=O)O
InChIInChI=1S/C11H18N2O4/c1-11(17,10(15)16)7-12-4-5-13-8(6-12)2-3-9(13)14/h8,17H,2-7H2,1H3,(H,15,16)
InChIKeyAPNARBCOLVKGON-UHFFFAOYSA-N
XLogP-0.87
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)propanoic acid?
The IUPAC name of 2-hydroxy-2-methyl-3-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)propanoic acid (CID 82863871) is 2-hydroxy-2-methyl-3-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)propanoic acid.
What is the SMILES notation for 2-hydroxy-2-methyl-3-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)propanoic acid?
The canonical SMILES for 2-hydroxy-2-methyl-3-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)propanoic acid is CC(O)(CN1CCN2C(=O)CCC2C1)C(=O)O.
What is the InChIKey of 2-hydroxy-2-methyl-3-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)propanoic acid?
The InChIKey is APNARBCOLVKGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-11(17,10(15)16)7-12-4-5-13-8(6-12)2-3-9(13)14/h8,17H,2-7H2,1H3,(H,15,16).
What are the key properties of 2-hydroxy-2-methyl-3-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)propanoic acid?
2-hydroxy-2-methyl-3-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)propanoic acid has a molecular weight of 242.27 g/mol, XLogP of -0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-3-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)propanoic acid is sourced from PubChem (CID 82863871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).