ethyl 1-(6-aminopyrazin-2-yl)pyrrolidine-2-carboxylate

C11H16N4O2 — CID 80646994

IUPACethyl 1-(6-aminopyrazin-2-yl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1c1cncc(N)n1
InChIInChI=1S/C11H16N4O2/c1-2-17-11(16)8-4-3-5-15(8)10-7-13-6-9(12)14-10/h6-8H,2-5H2,1H3,(H2,12,14)
InChIKeyNNXXAFAVZLKSSG-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.59
Rot. Bonds3

About ethyl 1-(6-aminopyrazin-2-yl)pyrrolidine-2-carboxylate

ethyl 1-(6-aminopyrazin-2-yl)pyrrolidine-2-carboxylate (PubChem CID 80646994) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is ethyl 1-(6-aminopyrazin-2-yl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(6-aminopyrazin-2-yl)pyrrolidine-2-carboxylate
PubChem CID80646994
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Nameethyl 1-(6-aminopyrazin-2-yl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1c1cncc(N)n1
InChIInChI=1S/C11H16N4O2/c1-2-17-11(16)8-4-3-5-15(8)10-7-13-6-9(12)14-10/h6-8H,2-5H2,1H3,(H2,12,14)
InChIKeyNNXXAFAVZLKSSG-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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Related Compounds

1-(Pyrazin-2-yl)pyrrolidine-2-carboxylic acid
CID 16794777
Methyl 4-hydroxy-1-(pyrazin-2-yl)pyrrolidine-2-carboxylate
CID 132327606
2-(3-methylimidazol-3-ium-1-yl)ethyl (2S)-pyrrolidin-1-ium-2-carboxylate
CID 134856172
methyl (2R)-2-amino-5-(2-aminoimidazol-1-yl)pentanoate
CID 169814466
5-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]pyrazin-2-amine
CID 176306672
5-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrazin-2-amine
CID 176306697
2-Aminopentanoic acid;1-(2-methyl-1-morpholin-4-ylpropan-2-yl)imidazol-4-amine
CID 177719445
4-Methoxy-1-pyrazin-2-ylpyrrolidine-2-carboxylic acid
CID 24711770
2-(3-methylimidazol-3-ium-1-yl)ethyl (2S)-pyrrolidine-2-carboxylate
CID 25198599
(2R)-1-pyrazin-2-ylpyrrolidine-2-carboxylic acid
CID 28110559
Ethyl 1-pyrazin-2-ylpyrrolidine-2-carboxylate
CID 55208657
1-(1-Pyrazin-2-ylpiperidin-4-yl)pyrrolidine-2-carboxylic acid
CID 61019645

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(6-aminopyrazin-2-yl)pyrrolidine-2-carboxylate?
The IUPAC name of ethyl 1-(6-aminopyrazin-2-yl)pyrrolidine-2-carboxylate (CID 80646994) is ethyl 1-(6-aminopyrazin-2-yl)pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(6-aminopyrazin-2-yl)pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 1-(6-aminopyrazin-2-yl)pyrrolidine-2-carboxylate is CCOC(=O)C1CCCN1c1cncc(N)n1.
What is the InChIKey of ethyl 1-(6-aminopyrazin-2-yl)pyrrolidine-2-carboxylate?
The InChIKey is NNXXAFAVZLKSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-2-17-11(16)8-4-3-5-15(8)10-7-13-6-9(12)14-10/h6-8H,2-5H2,1H3,(H2,12,14).
What are the key properties of ethyl 1-(6-aminopyrazin-2-yl)pyrrolidine-2-carboxylate?
ethyl 1-(6-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-(6-aminopyrazin-2-yl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 80646994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).