2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-(2-oxopropyl)propanamide

C13H17N3O5 — CID 129198548

IUPAC2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-(2-oxopropyl)propanamide
SMILESCC(=O)CNC(=O)C(C)NC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C13H17N3O5/c1-8(17)7-14-13(21)9(2)15-10(18)5-6-16-11(19)3-4-12(16)20/h3-4,9H,5-7H2,1-2H3,(H,14,21)(H,15,18)
InChIKeyVGFZEDLSIAWEAI-UHFFFAOYSA-N
MW295.30 g/mol
LogP-1.49
Rot. Bonds7

About 2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-(2-oxopropyl)propanamide

2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-(2-oxopropyl)propanamide (PubChem CID 129198548) has the molecular formula C13H17N3O5 and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-(2-oxopropyl)propanamide.

Molecular Properties

Compound Name2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-(2-oxopropyl)propanamide
PubChem CID129198548
Molecular FormulaC13H17N3O5
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-(2-oxopropyl)propanamide
SMILESCC(=O)CNC(=O)C(C)NC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C13H17N3O5/c1-8(17)7-14-13(21)9(2)15-10(18)5-6-16-11(19)3-4-12(16)20/h3-4,9H,5-7H2,1-2H3,(H,14,21)(H,15,18)
InChIKeyVGFZEDLSIAWEAI-UHFFFAOYSA-N
XLogP-1.49
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 5-1.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(2,5-dioxopyrrol-1-yl)-N-[3-hydroxy-1-oxo-1-(2-oxopropylamino)propan-2-yl]hexanamide
CID 129198430
[2-[2-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]propanoylamino]propanoylamino]propanoylamino]methyl acetate
CID 170745460
2-[[5-(carboxymethylamino)-4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-5-oxopentanoyl]amino]acetic acid;methane
CID 162192189
(2R)-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]propanoyl]amino]propanoic acid
CID 169179364
3-[[2-[[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]acetyl]amino]propanoylamino]methoxy]-2-hydroxy-2-methylpropanamide
CID 171536044
6-(2,5-dioxopyrrol-1-yl)-N-[2-[[(2S)-1-[[2-(2-methylpropylamino)-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]hexanamide;ethene;molecular hydrogen
CID 171831175
[4-[[2-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]propanoylamino]acetyl]amino]phenyl]methyl acetate;ethane
CID 178109922
3-(2,5-dioxopyrrol-1-yl)-N-(2-sulfanylpropyl)propanamide
CID 135303547
6-(2,5-dioxopyrrol-1-yl)-N-[(2S)-1-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]hexanamide
CID 156842075
methyl 2-[2-[[2-[[2-[[2-[(2,5-dioxopyrrol-1-yl)methylamino]acetyl]amino]acetyl]amino]acetyl]amino]propanoylamino]acetate
CID 170292282
(4S)-4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-5-[[(2S)-4-methyl-3-oxopentan-2-yl]amino]-5-oxopentanoic acid
CID 155245358
N-[(2R)-5-(carbamoylamino)pentan-2-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 146490463

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-(2-oxopropyl)propanamide?
The IUPAC name of 2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-(2-oxopropyl)propanamide (CID 129198548) is 2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-(2-oxopropyl)propanamide.
What is the SMILES notation for 2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-(2-oxopropyl)propanamide?
The canonical SMILES for 2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-(2-oxopropyl)propanamide is CC(=O)CNC(=O)C(C)NC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-(2-oxopropyl)propanamide?
The InChIKey is VGFZEDLSIAWEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5/c1-8(17)7-14-13(21)9(2)15-10(18)5-6-16-11(19)3-4-12(16)20/h3-4,9H,5-7H2,1-2H3,(H,14,21)(H,15,18).
What are the key properties of 2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-(2-oxopropyl)propanamide?
2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-(2-oxopropyl)propanamide has a molecular weight of 295.30 g/mol, XLogP of -1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-(2-oxopropyl)propanamide is sourced from PubChem (CID 129198548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).