N-(2-aminoethyl)-3-(2,5-dioxopyrrol-1-yl)propanamide

C9H13N3O3 — CID 51341002

IUPACN-(2-aminoethyl)-3-(2,5-dioxopyrrol-1-yl)propanamide
SMILESNCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C9H13N3O3/c10-4-5-11-7(13)3-6-12-8(14)1-2-9(12)15/h1-2H,3-6,10H2,(H,11,13)
InChIKeyLGOKQXDILYRQRS-UHFFFAOYSA-N
MW211.22 g/mol
LogP-1.62
Rot. Bonds5

About N-(2-aminoethyl)-3-(2,5-dioxopyrrol-1-yl)propanamide

N-(2-aminoethyl)-3-(2,5-dioxopyrrol-1-yl)propanamide (PubChem CID 51341002) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-(2,5-dioxopyrrol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-(2,5-dioxopyrrol-1-yl)propanamide
PubChem CID51341002
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC NameN-(2-aminoethyl)-3-(2,5-dioxopyrrol-1-yl)propanamide
SMILESNCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C9H13N3O3/c10-4-5-11-7(13)3-6-12-8(14)1-2-9(12)15/h1-2H,3-6,10H2,(H,11,13)
InChIKeyLGOKQXDILYRQRS-UHFFFAOYSA-N
XLogP-1.62
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-1.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]butanoic acid
CID 146519750
N-(3,3-dimethylbutyl)-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 118446686
3-(2,5-dioxopyrrol-1-yl)-N-[3-(trihydroxy-λ4-sulfanyl)propyl]propanamide
CID 163893072
N-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide;2,2,2-trifluoroacetic acid
CID 154704767
2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethyl hydrogen carbonate
CID 134600059
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]propanamide
CID 71242767
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]propanamide
CID 51341049
3-(2,5-dioxopyrrol-1-yl)-N-[3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]propyl]propanamide
CID 170280660
3-(2,5-dioxopyrrol-1-yl)-N-prop-2-ynylpropanamide
CID 10149082
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethyl]propanamide
CID 135174898
3-(2,5-dioxopyrrol-1-yl)-N-(4-methoxybutyl)propanamide;methane
CID 158981138
N,N'-bis[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]-N,N'-diphenylbutanediamide
CID 71752267

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-(2,5-dioxopyrrol-1-yl)propanamide?
The IUPAC name of N-(2-aminoethyl)-3-(2,5-dioxopyrrol-1-yl)propanamide (CID 51341002) is N-(2-aminoethyl)-3-(2,5-dioxopyrrol-1-yl)propanamide.
What is the SMILES notation for N-(2-aminoethyl)-3-(2,5-dioxopyrrol-1-yl)propanamide?
The canonical SMILES for N-(2-aminoethyl)-3-(2,5-dioxopyrrol-1-yl)propanamide is NCCNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of N-(2-aminoethyl)-3-(2,5-dioxopyrrol-1-yl)propanamide?
The InChIKey is LGOKQXDILYRQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c10-4-5-11-7(13)3-6-12-8(14)1-2-9(12)15/h1-2H,3-6,10H2,(H,11,13).
What are the key properties of N-(2-aminoethyl)-3-(2,5-dioxopyrrol-1-yl)propanamide?
N-(2-aminoethyl)-3-(2,5-dioxopyrrol-1-yl)propanamide has a molecular weight of 211.22 g/mol, XLogP of -1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-(2,5-dioxopyrrol-1-yl)propanamide is sourced from PubChem (CID 51341002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).