ethyl (2S)-2-[2-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrazin-1-yl]butanoate

C17H26N4O4 — CID 59909439

IUPACethyl (2S)-2-[2-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrazin-1-yl]butanoate
SMILESCCOC(=O)[C@H](CC)n1ccnc(NCCCN2CCCC2=O)c1=O
InChIInChI=1S/C17H26N4O4/c1-3-13(17(24)25-4-2)21-12-9-19-15(16(21)23)18-8-6-11-20-10-5-7-14(20)22/h9,12-13H,3-8,10-11H2,1-2H3,(H,18,19)/t13-/m0/s1
InChIKeyFSGQCXRZYRRALZ-ZDUSSCGKSA-N
MW350.42 g/mol
LogP1.18
Rot. Bonds9

About ethyl (2S)-2-[2-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrazin-1-yl]butanoate

ethyl (2S)-2-[2-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrazin-1-yl]butanoate (PubChem CID 59909439) has the molecular formula C17H26N4O4 and a molecular weight of 350.42 g/mol. Its IUPAC name is ethyl (2S)-2-[2-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrazin-1-yl]butanoate.

Molecular Properties

Compound Nameethyl (2S)-2-[2-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrazin-1-yl]butanoate
PubChem CID59909439
Molecular FormulaC17H26N4O4
Molecular Weight350.42 g/mol
Exact Mass350.20
IUPAC Nameethyl (2S)-2-[2-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrazin-1-yl]butanoate
SMILESCCOC(=O)[C@H](CC)n1ccnc(NCCCN2CCCC2=O)c1=O
InChIInChI=1S/C17H26N4O4/c1-3-13(17(24)25-4-2)21-12-9-19-15(16(21)23)18-8-6-11-20-10-5-7-14(20)22/h9,12-13H,3-8,10-11H2,1-2H3,(H,18,19)/t13-/m0/s1
InChIKeyFSGQCXRZYRRALZ-ZDUSSCGKSA-N
XLogP1.18
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[2-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrazin-1-yl]butanoic acid
CID 59909437
[6-Methyl-2-oxo-3-(2-pyrrolidin-2-yl-ethylamino)-2H-pyrazin-1-yl]-acetic acid ethyl ester
CID 69455727
[N-ethanimidoyl-C-[3-[[4-[(2S)-1-ethoxy-1-oxobutan-2-yl]-3-oxopyrazin-2-yl]amino]propyl]carbonimidoyl]oxidanium
CID 142039106
ethyl (2S)-2-[2-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrazin-1-yl]butanoate;(2S)-2-[2-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrazin-1-yl]butanoic acid
CID 160584940
Ethyl 2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propanoate
CID 62939533
Ethyl 2-[(4-ethyl-3-oxopyrazin-2-yl)amino]propanoate
CID 62939535
Ethyl 2-[(3-oxo-4-propylpyrazin-2-yl)amino]propanoate
CID 62939536
Ethyl 4-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]butanoate
CID 64579716
2-methyl-2-morpholin-4-yl-N-[1-(2-oxo-1H-pyrazin-3-yl)pyrrolidin-3-yl]propanamide
CID 136567117
tert-butyl (3S)-3-[[5-chloro-4-(2-ethoxy-2-oxoethyl)-3-oxopyrazin-2-yl]amino]pyrrolidine-1-carboxylate
CID 141995752
tert-butyl (3S)-3-[[4-(2-ethoxy-2-oxoethyl)-3-oxopyrazin-2-yl]amino]pyrrolidine-1-carboxylate
CID 141995765
ethyl 2-[6-chloro-2-oxo-3-[[(3S)-pyrrolidin-3-yl]amino]pyrazin-1-yl]acetate
CID 141995811

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-[2-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrazin-1-yl]butanoate?
The IUPAC name of ethyl (2S)-2-[2-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrazin-1-yl]butanoate (CID 59909439) is ethyl (2S)-2-[2-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrazin-1-yl]butanoate.
What is the SMILES notation for ethyl (2S)-2-[2-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrazin-1-yl]butanoate?
The canonical SMILES for ethyl (2S)-2-[2-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrazin-1-yl]butanoate is CCOC(=O)[C@H](CC)n1ccnc(NCCCN2CCCC2=O)c1=O.
What is the InChIKey of ethyl (2S)-2-[2-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrazin-1-yl]butanoate?
The InChIKey is FSGQCXRZYRRALZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H26N4O4/c1-3-13(17(24)25-4-2)21-12-9-19-15(16(21)23)18-8-6-11-20-10-5-7-14(20)22/h9,12-13H,3-8,10-11H2,1-2H3,(H,18,19)/t13-/m0/s1.
What are the key properties of ethyl (2S)-2-[2-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrazin-1-yl]butanoate?
ethyl (2S)-2-[2-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrazin-1-yl]butanoate has a molecular weight of 350.42 g/mol, XLogP of 1.18, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-[2-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrazin-1-yl]butanoate is sourced from PubChem (CID 59909439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).