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

C8H12N2O4 — CID 134325764

IUPAC(6S,8aR)-6-methyl-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxylic acid
SMILESC[C@H]1CN2C(=O)OC[C@H]2CN1C(=O)O
InChIInChI=1S/C8H12N2O4/c1-5-2-10-6(4-14-8(10)13)3-9(5)7(11)12/h5-6H,2-4H2,1H3,(H,11,12)/t5-,6+/m0/s1
InChIKeyZVSLWCMJSCDMIC-NTSWFWBYSA-N
MW200.19 g/mol
LogP0.19
Rot. Bonds

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

(6S,8aR)-6-methyl-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxylic acid (PubChem CID 134325764) has the molecular formula C8H12N2O4 and a molecular weight of 200.19 g/mol. Its IUPAC name is (6S,8aR)-6-methyl-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxylic acid.

Molecular Properties

Compound Name(6S,8aR)-6-methyl-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxylic acid
PubChem CID134325764
Molecular FormulaC8H12N2O4
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Name(6S,8aR)-6-methyl-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxylic acid
SMILESC[C@H]1CN2C(=O)OC[C@H]2CN1C(=O)O
InChIInChI=1S/C8H12N2O4/c1-5-2-10-6(4-14-8(10)13)3-9(5)7(11)12/h5-6H,2-4H2,1H3,(H,11,12)/t5-,6+/m0/s1
InChIKeyZVSLWCMJSCDMIC-NTSWFWBYSA-N
XLogP0.19
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-hydroxy-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one
CID 78166480
(8aS)-7-propan-2-yl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 131632865
(8aS)-3-oxo-N-propan-2-yl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide
CID 131632861
(2R)-2,4-dimethyl-5-oxopiperazine-1-carboxylic acid
CID 177212552
(8aR)-7-(1-acetylpiperidin-4-yl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 77059094
7-(methylamino)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 167062536
(8aS)-7-tert-butyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 130438371
(2R,5R)-2,5-dimethyl-4-(5-methylpyrimidin-2-yl)piperazine-1-carboxylic acid
CID 174238710
7-(4,5,6-trimethyl-2-oxo-1H-pyridine-3-carbonyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 121495469
6-pyrrolidin-1-yl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one
CID 55253879
(4S)-2-methyl-4-piperidin-1-ylpyrrolidine-1-carboxylic acid
CID 57115801
3-(3-cyclopentyl-2-oxo-1,3-oxazinan-5-yl)propanoic acid
CID 117011208

Frequently Asked Questions

What is the IUPAC name of (6S,8aR)-6-methyl-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxylic acid?
The IUPAC name of (6S,8aR)-6-methyl-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxylic acid (CID 134325764) is (6S,8aR)-6-methyl-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxylic acid.
What is the SMILES notation for (6S,8aR)-6-methyl-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxylic acid?
The canonical SMILES for (6S,8aR)-6-methyl-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxylic acid is C[C@H]1CN2C(=O)OC[C@H]2CN1C(=O)O.
What is the InChIKey of (6S,8aR)-6-methyl-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxylic acid?
The InChIKey is ZVSLWCMJSCDMIC-NTSWFWBYSA-N. The full InChI is InChI=1S/C8H12N2O4/c1-5-2-10-6(4-14-8(10)13)3-9(5)7(11)12/h5-6H,2-4H2,1H3,(H,11,12)/t5-,6+/m0/s1.
What are the key properties of (6S,8aR)-6-methyl-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxylic acid?
(6S,8aR)-6-methyl-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxylic acid has a molecular weight of 200.19 g/mol, XLogP of 0.19, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,8aR)-6-methyl-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxylic acid is sourced from PubChem (CID 134325764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).