N-(1-acetamidoethyl)-2-(3-amino-2,5-dioxopyrrolidin-1-yl)propanamide

C11H18N4O4 — CID 88930272

IUPACN-(1-acetamidoethyl)-2-(3-amino-2,5-dioxopyrrolidin-1-yl)propanamide
SMILESCC(=O)NC(C)NC(=O)C(C)N1C(=O)CC(N)C1=O
InChIInChI=1S/C11H18N4O4/c1-5(10(18)14-6(2)13-7(3)16)15-9(17)4-8(12)11(15)19/h5-6,8H,4,12H2,1-3H3,(H,13,16)(H,14,18)
InChIKeyLESLQBKTXDAPLG-UHFFFAOYSA-N
MW270.29 g/mol
LogP-1.94
Rot. Bonds4

About N-(1-acetamidoethyl)-2-(3-amino-2,5-dioxopyrrolidin-1-yl)propanamide

N-(1-acetamidoethyl)-2-(3-amino-2,5-dioxopyrrolidin-1-yl)propanamide (PubChem CID 88930272) has the molecular formula C11H18N4O4 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-(1-acetamidoethyl)-2-(3-amino-2,5-dioxopyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(1-acetamidoethyl)-2-(3-amino-2,5-dioxopyrrolidin-1-yl)propanamide
PubChem CID88930272
Molecular FormulaC11H18N4O4
Molecular Weight270.29 g/mol
Exact Mass270.13
IUPAC NameN-(1-acetamidoethyl)-2-(3-amino-2,5-dioxopyrrolidin-1-yl)propanamide
SMILESCC(=O)NC(C)NC(=O)C(C)N1C(=O)CC(N)C1=O
InChIInChI=1S/C11H18N4O4/c1-5(10(18)14-6(2)13-7(3)16)15-9(17)4-8(12)11(15)19/h5-6,8H,4,12H2,1-3H3,(H,13,16)(H,14,18)
InChIKeyLESLQBKTXDAPLG-UHFFFAOYSA-N
XLogP-1.94
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 5-1.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-(1-acetamidoethyl)-2-(3-amino-2,5-dioxopyrrolidin-1-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-acetamidoethyl)-2-(3-amino-2,5-dioxopyrrolidin-1-yl)propanamide?
The IUPAC name of N-(1-acetamidoethyl)-2-(3-amino-2,5-dioxopyrrolidin-1-yl)propanamide (CID 88930272) is N-(1-acetamidoethyl)-2-(3-amino-2,5-dioxopyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-(1-acetamidoethyl)-2-(3-amino-2,5-dioxopyrrolidin-1-yl)propanamide?
The canonical SMILES for N-(1-acetamidoethyl)-2-(3-amino-2,5-dioxopyrrolidin-1-yl)propanamide is CC(=O)NC(C)NC(=O)C(C)N1C(=O)CC(N)C1=O.
What is the InChIKey of N-(1-acetamidoethyl)-2-(3-amino-2,5-dioxopyrrolidin-1-yl)propanamide?
The InChIKey is LESLQBKTXDAPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4/c1-5(10(18)14-6(2)13-7(3)16)15-9(17)4-8(12)11(15)19/h5-6,8H,4,12H2,1-3H3,(H,13,16)(H,14,18).
What are the key properties of N-(1-acetamidoethyl)-2-(3-amino-2,5-dioxopyrrolidin-1-yl)propanamide?
N-(1-acetamidoethyl)-2-(3-amino-2,5-dioxopyrrolidin-1-yl)propanamide has a molecular weight of 270.29 g/mol, XLogP of -1.94, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetamidoethyl)-2-(3-amino-2,5-dioxopyrrolidin-1-yl)propanamide is sourced from PubChem (CID 88930272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).