(2,5-dioxopyrrolidin-1-yl) (2S)-2,4-diamino-4-oxobutanoate

C8H11N3O5 — CID 130454141

IUPAC(2,5-dioxopyrrolidin-1-yl) (2S)-2,4-diamino-4-oxobutanoate
SMILESNC(=O)C[C@H](N)C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C8H11N3O5/c9-4(3-5(10)12)8(15)16-11-6(13)1-2-7(11)14/h4H,1-3,9H2,(H2,10,12)/t4-/m0/s1
InChIKeyWJKAVWJNEAUEDZ-BYPYZUCNSA-N
MW229.19 g/mol
LogP-2.20
Rot. Bonds4

About (2,5-dioxopyrrolidin-1-yl) (2S)-2,4-diamino-4-oxobutanoate

(2,5-dioxopyrrolidin-1-yl) (2S)-2,4-diamino-4-oxobutanoate (PubChem CID 130454141) has the molecular formula C8H11N3O5 and a molecular weight of 229.19 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) (2S)-2,4-diamino-4-oxobutanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) (2S)-2,4-diamino-4-oxobutanoate
PubChem CID130454141
Molecular FormulaC8H11N3O5
Molecular Weight229.19 g/mol
Exact Mass229.07
IUPAC Name(2,5-dioxopyrrolidin-1-yl) (2S)-2,4-diamino-4-oxobutanoate
SMILESNC(=O)C[C@H](N)C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C8H11N3O5/c9-4(3-5(10)12)8(15)16-11-6(13)1-2-7(11)14/h4H,1-3,9H2,(H2,10,12)/t4-/m0/s1
InChIKeyWJKAVWJNEAUEDZ-BYPYZUCNSA-N
XLogP-2.20
TPSA132.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.19
LogP ≤ 5-2.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) 2-methylpentanoate
CID 11206648
bis(2,5-dioxopyrrolidin-1-yl) (2S)-2-methylpentanedioate
CID 58472277
(2,5-dioxopyrrolidin-1-yl) (3R)-3-amino-2-oxo-4-sulfanylbutanoate
CID 88857919
(2,5-dioxopyrrolidin-1-yl) carbamate;molecular hydrogen
CID 177137018
azanide;(2,5-dioxopyrrolidin-1-yl) 2,4-dimethyl-5-oxopentanoate;yttrium(3+)
CID 20683205
(2,5-dioxopyrrolidin-1-yl) 9-amino-9-oxononanoate
CID 142436920
(2,5-dioxopyrrolidin-1-yl) hydrogen carbonate;ethane-1,2-diol
CID 87408657
bis(2,5-dioxopyrrolidin-1-yl) 2-acetamidobutanedioate
CID 147117897
(2,5-dioxopyrrolidin-1-yl) [(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyldisulfanyl]methyl carbonate
CID 90051305
(2,5-dioxopyrrolidin-1-yl) 6-[[(2S)-1,4-diamino-1,4-dioxobutan-2-yl]amino]-6-oxohexanoate
CID 142732287
(2,5-dioxopyrrolidin-1-yl) 2-amino-3-hex-5-ynylsulfanylpropanoate
CID 59336588
(2,5-dioxopyrrolidin-1-yl) 4-oxo-3-sulfanylpentanoate
CID 87561676

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) (2S)-2,4-diamino-4-oxobutanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) (2S)-2,4-diamino-4-oxobutanoate (CID 130454141) is (2,5-dioxopyrrolidin-1-yl) (2S)-2,4-diamino-4-oxobutanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) (2S)-2,4-diamino-4-oxobutanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) (2S)-2,4-diamino-4-oxobutanoate is NC(=O)C[C@H](N)C(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) (2S)-2,4-diamino-4-oxobutanoate?
The InChIKey is WJKAVWJNEAUEDZ-BYPYZUCNSA-N. The full InChI is InChI=1S/C8H11N3O5/c9-4(3-5(10)12)8(15)16-11-6(13)1-2-7(11)14/h4H,1-3,9H2,(H2,10,12)/t4-/m0/s1.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) (2S)-2,4-diamino-4-oxobutanoate?
(2,5-dioxopyrrolidin-1-yl) (2S)-2,4-diamino-4-oxobutanoate has a molecular weight of 229.19 g/mol, XLogP of -2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) (2S)-2,4-diamino-4-oxobutanoate is sourced from PubChem (CID 130454141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).