ethyl 4-(1-pyrazin-2-ylethylamino)butanoate

C12H19N3O2 — CID 64580462

IUPACethyl 4-(1-pyrazin-2-ylethylamino)butanoate
SMILESCCOC(=O)CCCNC(C)c1cnccn1
InChIInChI=1S/C12H19N3O2/c1-3-17-12(16)5-4-6-14-10(2)11-9-13-7-8-15-11/h7-10,14H,3-6H2,1-2H3
InChIKeyWSMQOZWINTWKLY-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.47
Rot. Bonds7

About ethyl 4-(1-pyrazin-2-ylethylamino)butanoate

ethyl 4-(1-pyrazin-2-ylethylamino)butanoate (PubChem CID 64580462) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is ethyl 4-(1-pyrazin-2-ylethylamino)butanoate.

Molecular Properties

Compound Nameethyl 4-(1-pyrazin-2-ylethylamino)butanoate
PubChem CID64580462
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Nameethyl 4-(1-pyrazin-2-ylethylamino)butanoate
SMILESCCOC(=O)CCCNC(C)c1cnccn1
InChIInChI=1S/C12H19N3O2/c1-3-17-12(16)5-4-6-14-10(2)11-9-13-7-8-15-11/h7-10,14H,3-6H2,1-2H3
InChIKeyWSMQOZWINTWKLY-UHFFFAOYSA-N
XLogP1.47
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-[[(1S)-1-pyridin-2-ylethyl]amino]propanoate
CID 81401378
4,4,4-trifluoro-N-(1-pyrazin-2-ylethyl)butan-1-amine
CID 81343203
ethyl 3-[(4-ethoxy-4-oxobutyl)amino]butanoate
CID 64579524
ethyl 4-[1-[4-(dimethylamino)phenyl]ethylamino]butanoate
CID 64578318
ethyl 4-[(3-methylpyrazin-2-yl)amino]butanoate
CID 83062864
ethyl 4-[(1-methoxy-1-oxopropan-2-yl)amino]butanoate
CID 64580670
ethyl 4-[1-(5-fluoro-2-pyridinyl)propylamino]butanoate
CID 112583174
ethyl 4-[1-[3-(difluoromethoxy)phenyl]ethylamino]butanoate
CID 64577944
ethyl 7-[di(pyrazin-2-yl)amino]heptanoate
CID 121304888
ethyl 4-[[1-(diethylamino)-1-oxopropan-2-yl]amino]butanoate
CID 60720402
ethyl 4-[(5-aminopyrazin-2-yl)amino]butanoate
CID 80653247
ethyl 2-[[(1S)-1-pyridin-2-ylethyl]amino]acetate
CID 81401759

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(1-pyrazin-2-ylethylamino)butanoate?
The IUPAC name of ethyl 4-(1-pyrazin-2-ylethylamino)butanoate (CID 64580462) is ethyl 4-(1-pyrazin-2-ylethylamino)butanoate.
What is the SMILES notation for ethyl 4-(1-pyrazin-2-ylethylamino)butanoate?
The canonical SMILES for ethyl 4-(1-pyrazin-2-ylethylamino)butanoate is CCOC(=O)CCCNC(C)c1cnccn1.
What is the InChIKey of ethyl 4-(1-pyrazin-2-ylethylamino)butanoate?
The InChIKey is WSMQOZWINTWKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-3-17-12(16)5-4-6-14-10(2)11-9-13-7-8-15-11/h7-10,14H,3-6H2,1-2H3.
What are the key properties of ethyl 4-(1-pyrazin-2-ylethylamino)butanoate?
ethyl 4-(1-pyrazin-2-ylethylamino)butanoate has a molecular weight of 237.30 g/mol, XLogP of 1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(1-pyrazin-2-ylethylamino)butanoate is sourced from PubChem (CID 64580462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).