[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate

C10H12N4O4 — CID 2637976

IUPAC[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate
SMILESCc1cnc(C(=O)O[C@@H](C)C(=O)NC(N)=O)cn1
InChIInChI=1S/C10H12N4O4/c1-5-3-13-7(4-12-5)9(16)18-6(2)8(15)14-10(11)17/h3-4,6H,1-2H3,(H3,11,14,15,17)/t6-/m0/s1
InChIKeyKOPDCLGTNSZWQE-LURJTMIESA-N
MW252.23 g/mol
LogP-0.47
Rot. Bonds3

About [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate

[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate (PubChem CID 2637976) has the molecular formula C10H12N4O4 and a molecular weight of 252.23 g/mol. Its IUPAC name is [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate.

Molecular Properties

Compound Name[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate
PubChem CID2637976
Molecular FormulaC10H12N4O4
Molecular Weight252.23 g/mol
Exact Mass252.09
IUPAC Name[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate
SMILESCc1cnc(C(=O)O[C@@H](C)C(=O)NC(N)=O)cn1
InChIInChI=1S/C10H12N4O4/c1-5-3-13-7(4-12-5)9(16)18-6(2)8(15)14-10(11)17/h3-4,6H,1-2H3,(H3,11,14,15,17)/t6-/m0/s1
InChIKeyKOPDCLGTNSZWQE-LURJTMIESA-N
XLogP-0.47
TPSA124.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate?
The IUPAC name of [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate (CID 2637976) is [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate.
What is the SMILES notation for [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate?
The canonical SMILES for [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate is Cc1cnc(C(=O)O[C@@H](C)C(=O)NC(N)=O)cn1.
What is the InChIKey of [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate?
The InChIKey is KOPDCLGTNSZWQE-LURJTMIESA-N. The full InChI is InChI=1S/C10H12N4O4/c1-5-3-13-7(4-12-5)9(16)18-6(2)8(15)14-10(11)17/h3-4,6H,1-2H3,(H3,11,14,15,17)/t6-/m0/s1.
What are the key properties of [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate?
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate has a molecular weight of 252.23 g/mol, XLogP of -0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate is sourced from PubChem (CID 2637976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).