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'}

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Related Compounds

N-(cyclopentylcarbamoyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 2476904
N-cyclohexyl-2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)acetamide
CID 4917364
N-cyclohexyl-2-(1,3-diethyl-2,5-dioxoimidazolidin-4-yl)acetamide
CID 2954390
2-[4-(1-ethyl-2,5-dioxo-3-pyrrolidinyl)-1-piperazinyl]-N-isopropylacetamide
CID 2983546
L-Prolinamide, N-((hexahydro-1-methyl-2,6-dioxo-4-pyrimidinyl)carbonyl)-L-norvalyl-, (S)-, hemihydrate
CID 3080380
1-Butyl-3-ethyl-8-hydroxy-3,4,5,7-tetrahydro-1H-purine-2,6-dione
CID 4072727
(4S)-N-[(2S)-1-[(2R)-2-carbamoylpyrrolidin-1-yl]-1-oxopentan-2-yl]-1-methyl-2,6-dioxo-1,3-diazinane-4-carboxamide
CID 44307669
3-Butyl-5-methylimidazolidine-2,4-dione
CID 335477
5-(2-Oxo-2-piperidylethyl)-1,3-diazolidine-2,4-dione
CID 4737187
5-(2-Oxo-2-(pyrrolidin-1-yl)ethyl)imidazolidine-2,4-dione
CID 16227499
1-Methyl-3-(propylamino)pyrrolidine-2,5-dione
CID 43635902
1-(Propan-2-yl)-3-(propylamino)pyrrolidine-2,5-dione
CID 43636065

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).