(8S,8aS)-7-hydroxy-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-8-carboxylic acid

C7H10N2O5 — CID 137382794

IUPAC(8S,8aS)-7-hydroxy-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-8-carboxylic acid
SMILESO=C(O)[C@@H]1[C@H]2COC(=O)N2CCN1O
InChIInChI=1S/C7H10N2O5/c10-6(11)5-4-3-14-7(12)8(4)1-2-9(5)13/h4-5,13H,1-3H2,(H,10,11)/t4-,5+/m1/s1
InChIKeyMWBQQVZTBISDQC-UHNVWZDZSA-N
MW202.17 g/mol
LogP-1.03
Rot. Bonds1

About (8S,8aS)-7-hydroxy-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-8-carboxylic acid

(8S,8aS)-7-hydroxy-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-8-carboxylic acid (PubChem CID 137382794) has the molecular formula C7H10N2O5 and a molecular weight of 202.17 g/mol. Its IUPAC name is (8S,8aS)-7-hydroxy-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-8-carboxylic acid.

Molecular Properties

Compound Name(8S,8aS)-7-hydroxy-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-8-carboxylic acid
PubChem CID137382794
Molecular FormulaC7H10N2O5
Molecular Weight202.17 g/mol
Exact Mass202.06
IUPAC Name(8S,8aS)-7-hydroxy-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-8-carboxylic acid
SMILESO=C(O)[C@@H]1[C@H]2COC(=O)N2CCN1O
InChIInChI=1S/C7H10N2O5/c10-6(11)5-4-3-14-7(12)8(4)1-2-9(5)13/h4-5,13H,1-3H2,(H,10,11)/t4-,5+/m1/s1
InChIKeyMWBQQVZTBISDQC-UHNVWZDZSA-N
XLogP-1.03
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.17
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (8S,8aS)-7-hydroxy-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-8-carboxylic acid?
The IUPAC name of (8S,8aS)-7-hydroxy-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-8-carboxylic acid (CID 137382794) is (8S,8aS)-7-hydroxy-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-8-carboxylic acid.
What is the SMILES notation for (8S,8aS)-7-hydroxy-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-8-carboxylic acid?
The canonical SMILES for (8S,8aS)-7-hydroxy-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-8-carboxylic acid is O=C(O)[C@@H]1[C@H]2COC(=O)N2CCN1O.
What is the InChIKey of (8S,8aS)-7-hydroxy-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-8-carboxylic acid?
The InChIKey is MWBQQVZTBISDQC-UHNVWZDZSA-N. The full InChI is InChI=1S/C7H10N2O5/c10-6(11)5-4-3-14-7(12)8(4)1-2-9(5)13/h4-5,13H,1-3H2,(H,10,11)/t4-,5+/m1/s1.
What are the key properties of (8S,8aS)-7-hydroxy-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-8-carboxylic acid?
(8S,8aS)-7-hydroxy-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-8-carboxylic acid has a molecular weight of 202.17 g/mol, XLogP of -1.03, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8S,8aS)-7-hydroxy-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-8-carboxylic acid is sourced from PubChem (CID 137382794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).