oxolan-2-ylmethyl 3-aminopyrazine-2-carboxylate

C10H13N3O3 — CID 60730655

IUPACoxolan-2-ylmethyl 3-aminopyrazine-2-carboxylate
SMILESNc1nccnc1C(=O)OCC1CCCO1
InChIInChI=1S/C10H13N3O3/c11-9-8(12-3-4-13-9)10(14)16-6-7-2-1-5-15-7/h3-4,7H,1-2,5-6H2,(H2,11,13)
InChIKeyJRCRFWNQMYFDMM-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.39
Rot. Bonds3

About oxolan-2-ylmethyl 3-aminopyrazine-2-carboxylate

oxolan-2-ylmethyl 3-aminopyrazine-2-carboxylate (PubChem CID 60730655) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is oxolan-2-ylmethyl 3-aminopyrazine-2-carboxylate.

Molecular Properties

Compound Nameoxolan-2-ylmethyl 3-aminopyrazine-2-carboxylate
PubChem CID60730655
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Nameoxolan-2-ylmethyl 3-aminopyrazine-2-carboxylate
SMILESNc1nccnc1C(=O)OCC1CCCO1
InChIInChI=1S/C10H13N3O3/c11-9-8(12-3-4-13-9)10(14)16-6-7-2-1-5-15-7/h3-4,7H,1-2,5-6H2,(H2,11,13)
InChIKeyJRCRFWNQMYFDMM-UHFFFAOYSA-N
XLogP0.39
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

oxolan-2-ylmethyl 3-aminopyridine-2-carboxylate
CID 103993274
oxolan-2-ylmethyl pyridine-4-carboxylate
CID 533036
oxolan-2-ylmethyl 4-aminobenzoate
CID 21240891
oxolan-2-ylmethyl 2-chloropyridine-4-carboxylate
CID 60704497
oxolan-2-ylmethyl 4-amino-1-methylpyrazole-3-carboxylate
CID 65355547
3-amino-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]pyrazine-2-carboxamide
CID 30831505
oxolan-2-ylmethyl pyridine-3-carboxylate
CID 6260
3-amino-N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide
CID 71993852
3-amino-N-[2-(4-methylphenyl)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazine-2-carboxamide
CID 96568637
oxolan-2-ylmethyl 2,6-dichloropyridine-4-carboxylate
CID 63841492
oxolan-2-ylmethyl 5-amino-2-methylpyridine-3-carboxylate
CID 61310245
3-amino-N-[5-chloro-2-[[(2R)-oxan-2-yl]methoxy]phenyl]pyrazine-2-carboxamide
CID 99823794

Frequently Asked Questions

What is the IUPAC name of oxolan-2-ylmethyl 3-aminopyrazine-2-carboxylate?
The IUPAC name of oxolan-2-ylmethyl 3-aminopyrazine-2-carboxylate (CID 60730655) is oxolan-2-ylmethyl 3-aminopyrazine-2-carboxylate.
What is the SMILES notation for oxolan-2-ylmethyl 3-aminopyrazine-2-carboxylate?
The canonical SMILES for oxolan-2-ylmethyl 3-aminopyrazine-2-carboxylate is Nc1nccnc1C(=O)OCC1CCCO1.
What is the InChIKey of oxolan-2-ylmethyl 3-aminopyrazine-2-carboxylate?
The InChIKey is JRCRFWNQMYFDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c11-9-8(12-3-4-13-9)10(14)16-6-7-2-1-5-15-7/h3-4,7H,1-2,5-6H2,(H2,11,13).
What are the key properties of oxolan-2-ylmethyl 3-aminopyrazine-2-carboxylate?
oxolan-2-ylmethyl 3-aminopyrazine-2-carboxylate has a molecular weight of 223.23 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-ylmethyl 3-aminopyrazine-2-carboxylate is sourced from PubChem (CID 60730655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).