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

C9H11N3O4 — CID 21299691

IUPACN-(2-amino-2-oxoethyl)-3-(2,5-dioxopyrrol-1-yl)propanamide
SMILESNC(=O)CNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C9H11N3O4/c10-6(13)5-11-7(14)3-4-12-8(15)1-2-9(12)16/h1-2H,3-5H2,(H2,10,13)(H,11,14)
InChIKeySUTJRTMFRDOYMQ-UHFFFAOYSA-N
MW225.20 g/mol
LogP-2.10
Rot. Bonds5

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

N-(2-amino-2-oxoethyl)-3-(2,5-dioxopyrrol-1-yl)propanamide (PubChem CID 21299691) has the molecular formula C9H11N3O4 and a molecular weight of 225.20 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-3-(2,5-dioxopyrrol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-3-(2,5-dioxopyrrol-1-yl)propanamide
PubChem CID21299691
Molecular FormulaC9H11N3O4
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC NameN-(2-amino-2-oxoethyl)-3-(2,5-dioxopyrrol-1-yl)propanamide
SMILESNC(=O)CNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C9H11N3O4/c10-6(13)5-11-7(14)3-4-12-8(15)1-2-9(12)16/h1-2H,3-5H2,(H2,10,13)(H,11,14)
InChIKeySUTJRTMFRDOYMQ-UHFFFAOYSA-N
XLogP-2.10
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 5-2.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-3-(2,5-dioxopyrrol-1-yl)propanamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-3-(2,5-dioxopyrrol-1-yl)propanamide (CID 21299691) is N-(2-amino-2-oxoethyl)-3-(2,5-dioxopyrrol-1-yl)propanamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-3-(2,5-dioxopyrrol-1-yl)propanamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-3-(2,5-dioxopyrrol-1-yl)propanamide is NC(=O)CNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of N-(2-amino-2-oxoethyl)-3-(2,5-dioxopyrrol-1-yl)propanamide?
The InChIKey is SUTJRTMFRDOYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O4/c10-6(13)5-11-7(14)3-4-12-8(15)1-2-9(12)16/h1-2H,3-5H2,(H2,10,13)(H,11,14).
What are the key properties of N-(2-amino-2-oxoethyl)-3-(2,5-dioxopyrrol-1-yl)propanamide?
N-(2-amino-2-oxoethyl)-3-(2,5-dioxopyrrol-1-yl)propanamide has a molecular weight of 225.20 g/mol, XLogP of -2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-3-(2,5-dioxopyrrol-1-yl)propanamide is sourced from PubChem (CID 21299691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).