3-(2,5-dioxopyrrol-1-yl)-N-[2-oxo-2-[[(2S)-1-oxopropan-2-yl]amino]ethyl]propanamide

C12H15N3O5 — CID 89343202

IUPAC3-(2,5-dioxopyrrol-1-yl)-N-[2-oxo-2-[[(2S)-1-oxopropan-2-yl]amino]ethyl]propanamide
SMILESC[C@@H](C=O)NC(=O)CNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C12H15N3O5/c1-8(7-16)14-10(18)6-13-9(17)4-5-15-11(19)2-3-12(15)20/h2-3,7-8H,4-6H2,1H3,(H,13,17)(H,14,18)/t8-/m0/s1
InChIKeyFYVGXIAKJDTGDI-QMMMGPOBSA-N
MW281.27 g/mol
LogP-1.88
Rot. Bonds7

About 3-(2,5-dioxopyrrol-1-yl)-N-[2-oxo-2-[[(2S)-1-oxopropan-2-yl]amino]ethyl]propanamide

3-(2,5-dioxopyrrol-1-yl)-N-[2-oxo-2-[[(2S)-1-oxopropan-2-yl]amino]ethyl]propanamide (PubChem CID 89343202) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-[2-oxo-2-[[(2S)-1-oxopropan-2-yl]amino]ethyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)-N-[2-oxo-2-[[(2S)-1-oxopropan-2-yl]amino]ethyl]propanamide
PubChem CID89343202
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-N-[2-oxo-2-[[(2S)-1-oxopropan-2-yl]amino]ethyl]propanamide
SMILESC[C@@H](C=O)NC(=O)CNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C12H15N3O5/c1-8(7-16)14-10(18)6-13-9(17)4-5-15-11(19)2-3-12(15)20/h2-3,7-8H,4-6H2,1H3,(H,13,17)(H,14,18)/t8-/m0/s1
InChIKeyFYVGXIAKJDTGDI-QMMMGPOBSA-N
XLogP-1.88
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 5-1.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(2,5-dioxopyrrol-1-yl)-N-[2-oxo-2-[[(2S)-1-oxopropan-2-yl]amino]ethyl]propanamide with MolForge

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Related Compounds

2-[2-[3-[methyl-[(Z)-4-oxobut-2-enoyl]amino]propanoylamino]propanoylamino]acetyl fluoride
CID 171818319
N-(3-acetamidopropyl)-2-(2,5-dioxopyrrol-1-yl)acetamide
CID 21042088
3-(2,5-dioxopyrrol-1-yl)-N-[2-(methylamino)ethyl]propanamide
CID 21135495
N-(5-acetamido-6-oxohexyl)-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 21299688
N-(2-amino-2-oxoethyl)-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 21299691
2-(2,5-dioxopyrrol-1-yl)-N-propan-2-ylacetamide
CID 43567918
N-ethyl-4,7-dioxo-3-azoniaspiro[2.4]hept-5-ene-2-carboxamide
CID 57704322
3-(2,5-dioxopyrrol-1-yl)-N-propan-2-ylpropanamide
CID 58331275
2-(2,5-dioxopyrrol-1-yl)-N-(1-ethoxyethyl)propanamide
CID 58340890
2-(2,5-dioxopyrrol-1-yl)-N-propan-2-ylpropanamide
CID 58493132
2-(2,5-dioxopyrrol-1-yl)-N-propylpropanamide
CID 58493176
(2S)-2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-methylpent-4-ynamide
CID 59248174

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[2-oxo-2-[[(2S)-1-oxopropan-2-yl]amino]ethyl]propanamide?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[2-oxo-2-[[(2S)-1-oxopropan-2-yl]amino]ethyl]propanamide (CID 89343202) is 3-(2,5-dioxopyrrol-1-yl)-N-[2-oxo-2-[[(2S)-1-oxopropan-2-yl]amino]ethyl]propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-[2-oxo-2-[[(2S)-1-oxopropan-2-yl]amino]ethyl]propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-[2-oxo-2-[[(2S)-1-oxopropan-2-yl]amino]ethyl]propanamide is C[C@@H](C=O)NC(=O)CNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-[2-oxo-2-[[(2S)-1-oxopropan-2-yl]amino]ethyl]propanamide?
The InChIKey is FYVGXIAKJDTGDI-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H15N3O5/c1-8(7-16)14-10(18)6-13-9(17)4-5-15-11(19)2-3-12(15)20/h2-3,7-8H,4-6H2,1H3,(H,13,17)(H,14,18)/t8-/m0/s1.
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-[2-oxo-2-[[(2S)-1-oxopropan-2-yl]amino]ethyl]propanamide?
3-(2,5-dioxopyrrol-1-yl)-N-[2-oxo-2-[[(2S)-1-oxopropan-2-yl]amino]ethyl]propanamide has a molecular weight of 281.27 g/mol, XLogP of -1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrol-1-yl)-N-[2-oxo-2-[[(2S)-1-oxopropan-2-yl]amino]ethyl]propanamide is sourced from PubChem (CID 89343202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).