3-(2,5-dioxopyrrol-1-yl)-N-[2-(methoxyamino)ethyl]propanamide

C10H15N3O4 — CID 20710717

IUPAC3-(2,5-dioxopyrrol-1-yl)-N-[2-(methoxyamino)ethyl]propanamide
SMILESCONCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C10H15N3O4/c1-17-12-6-5-11-8(14)4-7-13-9(15)2-3-10(13)16/h2-3,12H,4-7H2,1H3,(H,11,14)
InChIKeyXBXXDWYGWKHXIE-UHFFFAOYSA-N
MW241.25 g/mol
LogP-1.43
Rot. Bonds7

About 3-(2,5-dioxopyrrol-1-yl)-N-[2-(methoxyamino)ethyl]propanamide

3-(2,5-dioxopyrrol-1-yl)-N-[2-(methoxyamino)ethyl]propanamide (PubChem CID 20710717) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-[2-(methoxyamino)ethyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)-N-[2-(methoxyamino)ethyl]propanamide
PubChem CID20710717
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-N-[2-(methoxyamino)ethyl]propanamide
SMILESCONCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C10H15N3O4/c1-17-12-6-5-11-8(14)4-7-13-9(15)2-3-10(13)16/h2-3,12H,4-7H2,1H3,(H,11,14)
InChIKeyXBXXDWYGWKHXIE-UHFFFAOYSA-N
XLogP-1.43
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-1.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]carbamoyl fluoride
CID 144854244
1-[2-[3-(Methylamino)propylamino]ethyl]pyrrole-2,5-dione
CID 20666018
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
3-(2,5-dioxopyrrol-1-yl)-N-ethylpropanamide
CID 21299486
3-(2,5-dioxopyrrol-1-yl)-N-methylpropanamide
CID 21299489
N-(2-amino-2-oxoethyl)-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 21299691
3-(2,5-dioxopyrrol-1-yl)-N-[2-(ethoxyamino)ethyl]propanamide
CID 23526539
N-[2-(aminomethoxyamino)ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 23526547
3-(2,5-dioxopyrrol-1-yl)-N-[2-(hydroxyamino)ethyl]propanamide
CID 23558129
N-(2-azidoethyl)-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 44155660
N-(2-Aminoethyl)-3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamide
CID 51341002

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[2-(methoxyamino)ethyl]propanamide?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[2-(methoxyamino)ethyl]propanamide (CID 20710717) is 3-(2,5-dioxopyrrol-1-yl)-N-[2-(methoxyamino)ethyl]propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-[2-(methoxyamino)ethyl]propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-[2-(methoxyamino)ethyl]propanamide is CONCCNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-[2-(methoxyamino)ethyl]propanamide?
The InChIKey is XBXXDWYGWKHXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-17-12-6-5-11-8(14)4-7-13-9(15)2-3-10(13)16/h2-3,12H,4-7H2,1H3,(H,11,14).
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-[2-(methoxyamino)ethyl]propanamide?
3-(2,5-dioxopyrrol-1-yl)-N-[2-(methoxyamino)ethyl]propanamide has a molecular weight of 241.25 g/mol, XLogP of -1.43, 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-(methoxyamino)ethyl]propanamide is sourced from PubChem (CID 20710717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).