(2S)-2-[(2S)-butan-2-yl]-3-oxo-2,4-dihydro-1H-furo[3,4-b]pyrazine-7-carboxylic acid

C11H14N2O4 — CID 82375634

IUPAC(2S)-2-[(2S)-butan-2-yl]-3-oxo-2,4-dihydro-1H-furo[3,4-b]pyrazine-7-carboxylic acid
SMILESCC[C@H](C)[C@@H]1Nc2c(coc2C(=O)O)NC1=O
InChIInChI=1S/C11H14N2O4/c1-3-5(2)7-10(14)12-6-4-17-9(11(15)16)8(6)13-7/h4-5,7,13H,3H2,1-2H3,(H,12,14)(H,15,16)/t5-,7-/m0/s1
InChIKeyJNUKMYAHVLHPNU-FSPLSTOPSA-N
MW238.24 g/mol
LogP1.76
Rot. Bonds3

About (2S)-2-[(2S)-butan-2-yl]-3-oxo-2,4-dihydro-1H-furo[3,4-b]pyrazine-7-carboxylic acid

(2S)-2-[(2S)-butan-2-yl]-3-oxo-2,4-dihydro-1H-furo[3,4-b]pyrazine-7-carboxylic acid (PubChem CID 82375634) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is (2S)-2-[(2S)-butan-2-yl]-3-oxo-2,4-dihydro-1H-furo[3,4-b]pyrazine-7-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-[(2S)-butan-2-yl]-3-oxo-2,4-dihydro-1H-furo[3,4-b]pyrazine-7-carboxylic acid
PubChem CID82375634
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name(2S)-2-[(2S)-butan-2-yl]-3-oxo-2,4-dihydro-1H-furo[3,4-b]pyrazine-7-carboxylic acid
SMILESCC[C@H](C)[C@@H]1Nc2c(coc2C(=O)O)NC1=O
InChIInChI=1S/C11H14N2O4/c1-3-5(2)7-10(14)12-6-4-17-9(11(15)16)8(6)13-7/h4-5,7,13H,3H2,1-2H3,(H,12,14)(H,15,16)/t5-,7-/m0/s1
InChIKeyJNUKMYAHVLHPNU-FSPLSTOPSA-N
XLogP1.76
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[(2S)-butan-2-yl]-3-oxo-2,4-dihydro-1H-furo[3,4-b]pyrazine-7-carboxylic acid with MolForge

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Related Compounds

3-oxo-2-(trifluoromethyl)-2,4-dihydro-1H-furo[3,4-b]pyrazine-7-carbaldehyde
CID 82375655
3-oxo-2-(trifluoromethyl)-2,4-dihydro-1H-furo[3,4-b]pyrazine-5-carbaldehyde
CID 82375662
Tert-butyl 4-(4-amino-5-ethoxycarbonylfuran-3-yl)piperazine-1-carboxylate
CID 89511385
4-(4-Amino-5-ethoxycarbonylfuran-3-yl)piperazine-1-carboxylic acid
CID 89511436
(2S)-2-methyl-5-methylsulfanyl-3-oxo-2,4-dihydro-1H-furo[3,4-b]pyrazine-7-carboxylic acid
CID 82375627
5-methylsulfanyl-3-oxo-2,4-dihydro-1H-furo[3,4-b]pyrazine-7-carboxylic acid
CID 82375628
(2R)-2-(2-methylpropyl)-3-oxo-2,4-dihydro-1H-furo[3,4-b]pyrazine-7-carboxylic acid
CID 82375633
8-Oxo-4-oxa-1,7-diazatricyclo[7.4.0.02,6]trideca-2,5-diene-3-carboxylic acid
CID 82375635
(2S)-2-methyl-7-methylsulfanyl-3-oxo-2,4-dihydro-1H-furo[3,4-b]pyrazine-5-carboxylic acid
CID 82375637
7-methylsulfanyl-3-oxo-2,4-dihydro-1H-furo[3,4-b]pyrazine-5-carboxylic acid
CID 82375638
(2R)-2-(2-methylpropyl)-3-oxo-2,4-dihydro-1H-furo[3,4-b]pyrazine-5-carboxylic acid
CID 82375639
(2S)-2-[(2S)-butan-2-yl]-3-oxo-2,4-dihydro-1H-furo[3,4-b]pyrazine-5-carboxylic acid
CID 82375640

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2S)-butan-2-yl]-3-oxo-2,4-dihydro-1H-furo[3,4-b]pyrazine-7-carboxylic acid?
The IUPAC name of (2S)-2-[(2S)-butan-2-yl]-3-oxo-2,4-dihydro-1H-furo[3,4-b]pyrazine-7-carboxylic acid (CID 82375634) is (2S)-2-[(2S)-butan-2-yl]-3-oxo-2,4-dihydro-1H-furo[3,4-b]pyrazine-7-carboxylic acid.
What is the SMILES notation for (2S)-2-[(2S)-butan-2-yl]-3-oxo-2,4-dihydro-1H-furo[3,4-b]pyrazine-7-carboxylic acid?
The canonical SMILES for (2S)-2-[(2S)-butan-2-yl]-3-oxo-2,4-dihydro-1H-furo[3,4-b]pyrazine-7-carboxylic acid is CC[C@H](C)[C@@H]1Nc2c(coc2C(=O)O)NC1=O.
What is the InChIKey of (2S)-2-[(2S)-butan-2-yl]-3-oxo-2,4-dihydro-1H-furo[3,4-b]pyrazine-7-carboxylic acid?
The InChIKey is JNUKMYAHVLHPNU-FSPLSTOPSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-3-5(2)7-10(14)12-6-4-17-9(11(15)16)8(6)13-7/h4-5,7,13H,3H2,1-2H3,(H,12,14)(H,15,16)/t5-,7-/m0/s1.
What are the key properties of (2S)-2-[(2S)-butan-2-yl]-3-oxo-2,4-dihydro-1H-furo[3,4-b]pyrazine-7-carboxylic acid?
(2S)-2-[(2S)-butan-2-yl]-3-oxo-2,4-dihydro-1H-furo[3,4-b]pyrazine-7-carboxylic acid has a molecular weight of 238.24 g/mol, XLogP of 1.76, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2S)-butan-2-yl]-3-oxo-2,4-dihydro-1H-furo[3,4-b]pyrazine-7-carboxylic acid is sourced from PubChem (CID 82375634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).