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

C11H16N4O2 — CID 80653388

IUPACethyl 1-(5-aminopyrazin-2-yl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1c1cnc(N)cn1
InChIInChI=1S/C11H16N4O2/c1-2-17-11(16)8-4-3-5-15(8)10-7-13-9(12)6-14-10/h6-8H,2-5H2,1H3,(H2,12,13)
InChIKeyNEEIQDVWZSDRDO-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.59
Rot. Bonds3

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

ethyl 1-(5-aminopyrazin-2-yl)pyrrolidine-2-carboxylate (PubChem CID 80653388) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is ethyl 1-(5-aminopyrazin-2-yl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(5-aminopyrazin-2-yl)pyrrolidine-2-carboxylate
PubChem CID80653388
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Nameethyl 1-(5-aminopyrazin-2-yl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1c1cnc(N)cn1
InChIInChI=1S/C11H16N4O2/c1-2-17-11(16)8-4-3-5-15(8)10-7-13-9(12)6-14-10/h6-8H,2-5H2,1H3,(H2,12,13)
InChIKeyNEEIQDVWZSDRDO-UHFFFAOYSA-N
XLogP0.59
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(5-aminopyrazin-2-yl)pyrrolidine-2-carboxylate?
The IUPAC name of ethyl 1-(5-aminopyrazin-2-yl)pyrrolidine-2-carboxylate (CID 80653388) is ethyl 1-(5-aminopyrazin-2-yl)pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(5-aminopyrazin-2-yl)pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 1-(5-aminopyrazin-2-yl)pyrrolidine-2-carboxylate is CCOC(=O)C1CCCN1c1cnc(N)cn1.
What is the InChIKey of ethyl 1-(5-aminopyrazin-2-yl)pyrrolidine-2-carboxylate?
The InChIKey is NEEIQDVWZSDRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-2-17-11(16)8-4-3-5-15(8)10-7-13-9(12)6-14-10/h6-8H,2-5H2,1H3,(H2,12,13).
What are the key properties of ethyl 1-(5-aminopyrazin-2-yl)pyrrolidine-2-carboxylate?
ethyl 1-(5-aminopyrazin-2-yl)pyrrolidine-2-carboxylate has a molecular weight of 236.27 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(5-aminopyrazin-2-yl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 80653388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).