[(2S)-1-amino-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate

C8H10N4O3 — CID 41379743

IUPAC[(2S)-1-amino-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate
SMILESC[C@H](OC(=O)c1nccnc1N)C(N)=O
InChIInChI=1S/C8H10N4O3/c1-4(7(10)13)15-8(14)5-6(9)12-3-2-11-5/h2-4H,1H3,(H2,9,12)(H2,10,13)/t4-/m0/s1
InChIKeyXJAVNQZGSRWJBY-BYPYZUCNSA-N
MW210.19 g/mol
LogP-0.91
Rot. Bonds3

About [(2S)-1-amino-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate

[(2S)-1-amino-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate (PubChem CID 41379743) has the molecular formula C8H10N4O3 and a molecular weight of 210.19 g/mol. Its IUPAC name is [(2S)-1-amino-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate.

Molecular Properties

Compound Name[(2S)-1-amino-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate
PubChem CID41379743
Molecular FormulaC8H10N4O3
Molecular Weight210.19 g/mol
Exact Mass210.08
IUPAC Name[(2S)-1-amino-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate
SMILESC[C@H](OC(=O)c1nccnc1N)C(N)=O
InChIInChI=1S/C8H10N4O3/c1-4(7(10)13)15-8(14)5-6(9)12-3-2-11-5/h2-4H,1H3,(H2,9,12)(H2,10,13)/t4-/m0/s1
InChIKeyXJAVNQZGSRWJBY-BYPYZUCNSA-N
XLogP-0.91
TPSA121.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-amino-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate?
The IUPAC name of [(2S)-1-amino-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate (CID 41379743) is [(2S)-1-amino-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate.
What is the SMILES notation for [(2S)-1-amino-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate?
The canonical SMILES for [(2S)-1-amino-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate is C[C@H](OC(=O)c1nccnc1N)C(N)=O.
What is the InChIKey of [(2S)-1-amino-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate?
The InChIKey is XJAVNQZGSRWJBY-BYPYZUCNSA-N. The full InChI is InChI=1S/C8H10N4O3/c1-4(7(10)13)15-8(14)5-6(9)12-3-2-11-5/h2-4H,1H3,(H2,9,12)(H2,10,13)/t4-/m0/s1.
What are the key properties of [(2S)-1-amino-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate?
[(2S)-1-amino-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate has a molecular weight of 210.19 g/mol, XLogP of -0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-amino-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate is sourced from PubChem (CID 41379743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).