methyl 1-(5-aminopyrazin-2-yl)pyrrolidine-2-carboxylate

C10H14N4O2 — CID 80651876

IUPACmethyl 1-(5-aminopyrazin-2-yl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1c1cnc(N)cn1
InChIInChI=1S/C10H14N4O2/c1-16-10(15)7-3-2-4-14(7)9-6-12-8(11)5-13-9/h5-7H,2-4H2,1H3,(H2,11,12)
InChIKeyPBAQRBOAFBZRKE-UHFFFAOYSA-N
MW222.25 g/mol
LogP0.20
Rot. Bonds2

About methyl 1-(5-aminopyrazin-2-yl)pyrrolidine-2-carboxylate

methyl 1-(5-aminopyrazin-2-yl)pyrrolidine-2-carboxylate (PubChem CID 80651876) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is methyl 1-(5-aminopyrazin-2-yl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(5-aminopyrazin-2-yl)pyrrolidine-2-carboxylate
PubChem CID80651876
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Namemethyl 1-(5-aminopyrazin-2-yl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1c1cnc(N)cn1
InChIInChI=1S/C10H14N4O2/c1-16-10(15)7-3-2-4-14(7)9-6-12-8(11)5-13-9/h5-7H,2-4H2,1H3,(H2,11,12)
InChIKeyPBAQRBOAFBZRKE-UHFFFAOYSA-N
XLogP0.20
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(5-aminopyrazin-2-yl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-(5-aminopyrazin-2-yl)pyrrolidine-2-carboxylate (CID 80651876) is methyl 1-(5-aminopyrazin-2-yl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-(5-aminopyrazin-2-yl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-(5-aminopyrazin-2-yl)pyrrolidine-2-carboxylate is COC(=O)C1CCCN1c1cnc(N)cn1.
What is the InChIKey of methyl 1-(5-aminopyrazin-2-yl)pyrrolidine-2-carboxylate?
The InChIKey is PBAQRBOAFBZRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-16-10(15)7-3-2-4-14(7)9-6-12-8(11)5-13-9/h5-7H,2-4H2,1H3,(H2,11,12).
What are the key properties of methyl 1-(5-aminopyrazin-2-yl)pyrrolidine-2-carboxylate?
methyl 1-(5-aminopyrazin-2-yl)pyrrolidine-2-carboxylate has a molecular weight of 222.25 g/mol, XLogP of 0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(5-aminopyrazin-2-yl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 80651876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).