(2S)-1-methyl-3-oxo-2-propan-2-yl-2,4-dihydrofuro[3,4-b]pyrazine-5-carboxylic acid

C11H14N2O4 — CID 82375644

IUPAC(2S)-1-methyl-3-oxo-2-propan-2-yl-2,4-dihydrofuro[3,4-b]pyrazine-5-carboxylic acid
SMILESCC(C)[C@H]1C(=O)Nc2c(coc2C(=O)O)N1C
InChIInChI=1S/C11H14N2O4/c1-5(2)8-10(14)12-7-6(13(8)3)4-17-9(7)11(15)16/h4-5,8H,1-3H3,(H,12,14)(H,15,16)/t8-/m0/s1
InChIKeyPSAONVGDYXRLJK-QMMMGPOBSA-N
MW238.24 g/mol
LogP1.39
Rot. Bonds2

About (2S)-1-methyl-3-oxo-2-propan-2-yl-2,4-dihydrofuro[3,4-b]pyrazine-5-carboxylic acid

(2S)-1-methyl-3-oxo-2-propan-2-yl-2,4-dihydrofuro[3,4-b]pyrazine-5-carboxylic acid (PubChem CID 82375644) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is (2S)-1-methyl-3-oxo-2-propan-2-yl-2,4-dihydrofuro[3,4-b]pyrazine-5-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-methyl-3-oxo-2-propan-2-yl-2,4-dihydrofuro[3,4-b]pyrazine-5-carboxylic acid
PubChem CID82375644
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name(2S)-1-methyl-3-oxo-2-propan-2-yl-2,4-dihydrofuro[3,4-b]pyrazine-5-carboxylic acid
SMILESCC(C)[C@H]1C(=O)Nc2c(coc2C(=O)O)N1C
InChIInChI=1S/C11H14N2O4/c1-5(2)8-10(14)12-7-6(13(8)3)4-17-9(7)11(15)16/h4-5,8H,1-3H3,(H,12,14)(H,15,16)/t8-/m0/s1
InChIKeyPSAONVGDYXRLJK-QMMMGPOBSA-N
XLogP1.39
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-methyl-3-oxo-2-propan-2-yl-2,4-dihydrofuro[3,4-b]pyrazine-5-carboxylic acid?
The IUPAC name of (2S)-1-methyl-3-oxo-2-propan-2-yl-2,4-dihydrofuro[3,4-b]pyrazine-5-carboxylic acid (CID 82375644) is (2S)-1-methyl-3-oxo-2-propan-2-yl-2,4-dihydrofuro[3,4-b]pyrazine-5-carboxylic acid.
What is the SMILES notation for (2S)-1-methyl-3-oxo-2-propan-2-yl-2,4-dihydrofuro[3,4-b]pyrazine-5-carboxylic acid?
The canonical SMILES for (2S)-1-methyl-3-oxo-2-propan-2-yl-2,4-dihydrofuro[3,4-b]pyrazine-5-carboxylic acid is CC(C)[C@H]1C(=O)Nc2c(coc2C(=O)O)N1C.
What is the InChIKey of (2S)-1-methyl-3-oxo-2-propan-2-yl-2,4-dihydrofuro[3,4-b]pyrazine-5-carboxylic acid?
The InChIKey is PSAONVGDYXRLJK-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-5(2)8-10(14)12-7-6(13(8)3)4-17-9(7)11(15)16/h4-5,8H,1-3H3,(H,12,14)(H,15,16)/t8-/m0/s1.
What are the key properties of (2S)-1-methyl-3-oxo-2-propan-2-yl-2,4-dihydrofuro[3,4-b]pyrazine-5-carboxylic acid?
(2S)-1-methyl-3-oxo-2-propan-2-yl-2,4-dihydrofuro[3,4-b]pyrazine-5-carboxylic acid has a molecular weight of 238.24 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methyl-3-oxo-2-propan-2-yl-2,4-dihydrofuro[3,4-b]pyrazine-5-carboxylic acid is sourced from PubChem (CID 82375644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).