(2S)-2-[2-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrazin-1-yl]butanoic acid

C15H22N4O4 — CID 59909437

IUPAC(2S)-2-[2-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrazin-1-yl]butanoic acid
SMILESCC[C@@H](C(=O)O)n1ccnc(NCCCN2CCCC2=O)c1=O
InChIInChI=1S/C15H22N4O4/c1-2-11(15(22)23)19-10-7-17-13(14(19)21)16-6-4-9-18-8-3-5-12(18)20/h7,10-11H,2-6,8-9H2,1H3,(H,16,17)(H,22,23)/t11-/m0/s1
InChIKeyASJBVJYXHWFKJN-NSHDSACASA-N
MW322.37 g/mol
LogP0.70
Rot. Bonds8

About (2S)-2-[2-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrazin-1-yl]butanoic acid

(2S)-2-[2-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrazin-1-yl]butanoic acid (PubChem CID 59909437) has the molecular formula C15H22N4O4 and a molecular weight of 322.37 g/mol. Its IUPAC name is (2S)-2-[2-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrazin-1-yl]butanoic acid.

Molecular Properties

Compound Name(2S)-2-[2-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrazin-1-yl]butanoic acid
PubChem CID59909437
Molecular FormulaC15H22N4O4
Molecular Weight322.37 g/mol
Exact Mass322.16
IUPAC Name(2S)-2-[2-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrazin-1-yl]butanoic acid
SMILESCC[C@@H](C(=O)O)n1ccnc(NCCCN2CCCC2=O)c1=O
InChIInChI=1S/C15H22N4O4/c1-2-11(15(22)23)19-10-7-17-13(14(19)21)16-6-4-9-18-8-3-5-12(18)20/h7,10-11H,2-6,8-9H2,1H3,(H,16,17)(H,22,23)/t11-/m0/s1
InChIKeyASJBVJYXHWFKJN-NSHDSACASA-N
XLogP0.70
TPSA104.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2S)-2-[2-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrazin-1-yl]butanoic acid with MolForge

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Launch Full Analysis

Related Compounds

ethyl (2S)-2-[2-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrazin-1-yl]butanoate
CID 59909439
(2S)-2-(3-aminopropanoylamino)-4-[ethenyliminomethyl(methyl)amino]butanoic acid
CID 126517633
2-[3-[[(3S)-1-acetylpyrrolidin-3-yl]amino]-6-chloro-2-oxopyrazin-1-yl]acetic acid
CID 141995786
(2S)-2-[2-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrazin-1-yl]butanoic acid;1-[(3S)-2-oxopentan-3-yl]-3-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrazin-2-one
CID 160571977
2-[(3-Oxo-4-propylpyrazin-2-yl)amino]butanoic acid
CID 55156400
2-[(4-Ethyl-3-oxopyrazin-2-yl)amino]pentanoic acid
CID 55156594
3-Methyl-2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]butanoic acid
CID 55157550
3-Methyl-2-[(3-oxo-4-propylpyrazin-2-yl)amino]butanoic acid
CID 55157551
3-[(3-Oxo-4-propylpyrazin-2-yl)amino]butanoic acid
CID 62938372
3-Methyl-2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]butanoic acid
CID 62938736
2-[(4-Ethyl-3-oxopyrazin-2-yl)amino]-3-methylbutanoic acid
CID 62938916
2-[(4-Tert-butyl-3-oxopyrazin-2-yl)amino]-3-methylbutanoic acid
CID 62938917

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrazin-1-yl]butanoic acid?
The IUPAC name of (2S)-2-[2-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrazin-1-yl]butanoic acid (CID 59909437) is (2S)-2-[2-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrazin-1-yl]butanoic acid.
What is the SMILES notation for (2S)-2-[2-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrazin-1-yl]butanoic acid?
The canonical SMILES for (2S)-2-[2-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrazin-1-yl]butanoic acid is CC[C@@H](C(=O)O)n1ccnc(NCCCN2CCCC2=O)c1=O.
What is the InChIKey of (2S)-2-[2-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrazin-1-yl]butanoic acid?
The InChIKey is ASJBVJYXHWFKJN-NSHDSACASA-N. The full InChI is InChI=1S/C15H22N4O4/c1-2-11(15(22)23)19-10-7-17-13(14(19)21)16-6-4-9-18-8-3-5-12(18)20/h7,10-11H,2-6,8-9H2,1H3,(H,16,17)(H,22,23)/t11-/m0/s1.
What are the key properties of (2S)-2-[2-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrazin-1-yl]butanoic acid?
(2S)-2-[2-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrazin-1-yl]butanoic acid has a molecular weight of 322.37 g/mol, XLogP of 0.70, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrazin-1-yl]butanoic acid is sourced from PubChem (CID 59909437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).