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

C11H17N3O4 — CID 88912815

IUPACN-(1-acetamidoethyl)-2-(2,5-dioxopyrrolidin-1-yl)propanamide
SMILESCC(=O)NC(C)NC(=O)C(C)N1C(=O)CCC1=O
InChIInChI=1S/C11H17N3O4/c1-6(14-9(16)4-5-10(14)17)11(18)13-7(2)12-8(3)15/h6-7H,4-5H2,1-3H3,(H,12,15)(H,13,18)
InChIKeyINJXTVPKYMBQLM-UHFFFAOYSA-N
MW255.27 g/mol
LogP-0.88
Rot. Bonds4

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

N-(1-acetamidoethyl)-2-(2,5-dioxopyrrolidin-1-yl)propanamide (PubChem CID 88912815) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is N-(1-acetamidoethyl)-2-(2,5-dioxopyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(1-acetamidoethyl)-2-(2,5-dioxopyrrolidin-1-yl)propanamide
PubChem CID88912815
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC NameN-(1-acetamidoethyl)-2-(2,5-dioxopyrrolidin-1-yl)propanamide
SMILESCC(=O)NC(C)NC(=O)C(C)N1C(=O)CCC1=O
InChIInChI=1S/C11H17N3O4/c1-6(14-9(16)4-5-10(14)17)11(18)13-7(2)12-8(3)15/h6-7H,4-5H2,1-3H3,(H,12,15)(H,13,18)
InChIKeyINJXTVPKYMBQLM-UHFFFAOYSA-N
XLogP-0.88
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1-acetamidoethyl)-2-(3-amino-2,5-dioxopyrrolidin-1-yl)propanamide
CID 88930272
2-(2,5-dioxopyrrolidin-1-yl)propanoic acid
CID 2770225
(2S)-2-(2,5-dioxopyrrolidin-1-yl)-N-prop-2-enylpropanamide
CID 17034869
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 71940856
2-(3-methylidene-2,5-dioxopyrrolidin-1-yl)-N-[1-[1-[1-[1-[2-(3-methylidene-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethylamino]ethylamino]ethylamino]ethyl]propanamide
CID 88555792
2-(2,5-dioxopyrrol-1-yl)-N-[1-[1-[1-[1-[2-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylamino]ethylamino]ethylamino]ethyl]propanamide
CID 88555469
2-(2,5-dioxopyrrol-1-yl)-N-[1-(2-ethoxypropanoylamino)ethyl]propanamide
CID 58340888
2-(2,7-dioxoazepan-1-yl)propanoic acid
CID 43446708
2-(2,5-dioxopyrrolidin-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 127043901
(2S)-2-(2,5-dioxopyrrolidin-1-yl)-N-(3-fluorophenyl)propanamide
CID 17034808
methyl 2-(2,5-dioxopyrrolidin-1-yl)-2-hydroxyacetate
CID 139781494
(2R)-2-(2,5-dioxopyrrolidin-1-yl)-N-[(1S,2S)-2-phenylcyclopropyl]propanamide
CID 124860159

Frequently Asked Questions

What is the IUPAC name of N-(1-acetamidoethyl)-2-(2,5-dioxopyrrolidin-1-yl)propanamide?
The IUPAC name of N-(1-acetamidoethyl)-2-(2,5-dioxopyrrolidin-1-yl)propanamide (CID 88912815) is N-(1-acetamidoethyl)-2-(2,5-dioxopyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-(1-acetamidoethyl)-2-(2,5-dioxopyrrolidin-1-yl)propanamide?
The canonical SMILES for N-(1-acetamidoethyl)-2-(2,5-dioxopyrrolidin-1-yl)propanamide is CC(=O)NC(C)NC(=O)C(C)N1C(=O)CCC1=O.
What is the InChIKey of N-(1-acetamidoethyl)-2-(2,5-dioxopyrrolidin-1-yl)propanamide?
The InChIKey is INJXTVPKYMBQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-6(14-9(16)4-5-10(14)17)11(18)13-7(2)12-8(3)15/h6-7H,4-5H2,1-3H3,(H,12,15)(H,13,18).
What are the key properties of N-(1-acetamidoethyl)-2-(2,5-dioxopyrrolidin-1-yl)propanamide?
N-(1-acetamidoethyl)-2-(2,5-dioxopyrrolidin-1-yl)propanamide has a molecular weight of 255.27 g/mol, XLogP of -0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetamidoethyl)-2-(2,5-dioxopyrrolidin-1-yl)propanamide is sourced from PubChem (CID 88912815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).