(3R)-3-methyl-2-oxo-1,3-dihydropyrazine-4-carboxylic acid

C6H8N2O3 — CID 175331279

IUPAC(3R)-3-methyl-2-oxo-1,3-dihydropyrazine-4-carboxylic acid
SMILESC[C@@H]1C(=O)NC=CN1C(=O)O
InChIInChI=1S/C6H8N2O3/c1-4-5(9)7-2-3-8(4)6(10)11/h2-4H,1H3,(H,7,9)(H,10,11)/t4-/m1/s1
InChIKeyINJLKBBFSIWEKZ-SCSAIBSYSA-N
MW156.14 g/mol
LogP-0.04
Rot. Bonds

About (3R)-3-methyl-2-oxo-1,3-dihydropyrazine-4-carboxylic acid

(3R)-3-methyl-2-oxo-1,3-dihydropyrazine-4-carboxylic acid (PubChem CID 175331279) has the molecular formula C6H8N2O3 and a molecular weight of 156.14 g/mol. Its IUPAC name is (3R)-3-methyl-2-oxo-1,3-dihydropyrazine-4-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-methyl-2-oxo-1,3-dihydropyrazine-4-carboxylic acid
PubChem CID175331279
Molecular FormulaC6H8N2O3
Molecular Weight156.14 g/mol
Exact Mass156.05
IUPAC Name(3R)-3-methyl-2-oxo-1,3-dihydropyrazine-4-carboxylic acid
SMILESC[C@@H]1C(=O)NC=CN1C(=O)O
InChIInChI=1S/C6H8N2O3/c1-4-5(9)7-2-3-8(4)6(10)11/h2-4H,1H3,(H,7,9)(H,10,11)/t4-/m1/s1
InChIKeyINJLKBBFSIWEKZ-SCSAIBSYSA-N
XLogP-0.04
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 129844384
2-Oxo-3-propan-2-yl-1,3-dihydropyrazine-4-carboxylic acid
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CID 91255251
(3R)-2-oxo-3-propan-2-yl-1,3-dihydropyrazine-4-carboxylic acid
CID 153933726
Methyl-[1-(methylamino)-1-oxopropan-2-yl]carbamic acid
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3,4-Dimethyl-1,3-dihydropyrazin-2-one
CID 169881486
4-[2-Oxo-2-(propan-2-ylamino)ethyl]pyrazine-1-carboxylic acid
CID 173173156
4-Methyl-2-oxo-1,3-dihydropyrazine-3-carboxamide
CID 174669462
3-Methyl-2-oxo-1,3-dihydropyrazine-4-carboxylic acid
CID 175561025
2-[acetyl(ethenyl)amino]-N-methylpropanamide
CID 21719896
N-ethenyl-2-formamido-N-methylpropanamide
CID 45088470
1-[2-(Butan-2-ylamino)ethyl]-4-methylpyrazine-2,3-dione
CID 62927374

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-2-oxo-1,3-dihydropyrazine-4-carboxylic acid?
The IUPAC name of (3R)-3-methyl-2-oxo-1,3-dihydropyrazine-4-carboxylic acid (CID 175331279) is (3R)-3-methyl-2-oxo-1,3-dihydropyrazine-4-carboxylic acid.
What is the SMILES notation for (3R)-3-methyl-2-oxo-1,3-dihydropyrazine-4-carboxylic acid?
The canonical SMILES for (3R)-3-methyl-2-oxo-1,3-dihydropyrazine-4-carboxylic acid is C[C@@H]1C(=O)NC=CN1C(=O)O.
What is the InChIKey of (3R)-3-methyl-2-oxo-1,3-dihydropyrazine-4-carboxylic acid?
The InChIKey is INJLKBBFSIWEKZ-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H8N2O3/c1-4-5(9)7-2-3-8(4)6(10)11/h2-4H,1H3,(H,7,9)(H,10,11)/t4-/m1/s1.
What are the key properties of (3R)-3-methyl-2-oxo-1,3-dihydropyrazine-4-carboxylic acid?
(3R)-3-methyl-2-oxo-1,3-dihydropyrazine-4-carboxylic acid has a molecular weight of 156.14 g/mol, XLogP of -0.04, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-2-oxo-1,3-dihydropyrazine-4-carboxylic acid is sourced from PubChem (CID 175331279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).