N-[3-[(4S)-2,5-dioxoimidazolidin-4-yl]propyl]acetamide

C8H13N3O3 — CID 99868106

IUPACN-[3-[(4S)-2,5-dioxoimidazolidin-4-yl]propyl]acetamide
SMILESCC(=O)NCCC[C@@H]1NC(=O)NC1=O
InChIInChI=1S/C8H13N3O3/c1-5(12)9-4-2-3-6-7(13)11-8(14)10-6/h6H,2-4H2,1H3,(H,9,12)(H2,10,11,13,14)/t6-/m0/s1
InChIKeyZYGPQJZZWCLBOO-LURJTMIESA-N
MW199.21 g/mol
LogP-0.89
Rot. Bonds4

About N-[3-[(4S)-2,5-dioxoimidazolidin-4-yl]propyl]acetamide

N-[3-[(4S)-2,5-dioxoimidazolidin-4-yl]propyl]acetamide (PubChem CID 99868106) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is N-[3-[(4S)-2,5-dioxoimidazolidin-4-yl]propyl]acetamide.

Molecular Properties

Compound NameN-[3-[(4S)-2,5-dioxoimidazolidin-4-yl]propyl]acetamide
PubChem CID99868106
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC NameN-[3-[(4S)-2,5-dioxoimidazolidin-4-yl]propyl]acetamide
SMILESCC(=O)NCCC[C@@H]1NC(=O)NC1=O
InChIInChI=1S/C8H13N3O3/c1-5(12)9-4-2-3-6-7(13)11-8(14)10-6/h6H,2-4H2,1H3,(H,9,12)(H2,10,11,13,14)/t6-/m0/s1
InChIKeyZYGPQJZZWCLBOO-LURJTMIESA-N
XLogP-0.89
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(4S)-2,5-dioxoimidazolidin-4-yl]propyl]acetamide?
The IUPAC name of N-[3-[(4S)-2,5-dioxoimidazolidin-4-yl]propyl]acetamide (CID 99868106) is N-[3-[(4S)-2,5-dioxoimidazolidin-4-yl]propyl]acetamide.
What is the SMILES notation for N-[3-[(4S)-2,5-dioxoimidazolidin-4-yl]propyl]acetamide?
The canonical SMILES for N-[3-[(4S)-2,5-dioxoimidazolidin-4-yl]propyl]acetamide is CC(=O)NCCC[C@@H]1NC(=O)NC1=O.
What is the InChIKey of N-[3-[(4S)-2,5-dioxoimidazolidin-4-yl]propyl]acetamide?
The InChIKey is ZYGPQJZZWCLBOO-LURJTMIESA-N. The full InChI is InChI=1S/C8H13N3O3/c1-5(12)9-4-2-3-6-7(13)11-8(14)10-6/h6H,2-4H2,1H3,(H,9,12)(H2,10,11,13,14)/t6-/m0/s1.
What are the key properties of N-[3-[(4S)-2,5-dioxoimidazolidin-4-yl]propyl]acetamide?
N-[3-[(4S)-2,5-dioxoimidazolidin-4-yl]propyl]acetamide has a molecular weight of 199.21 g/mol, XLogP of -0.89, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4S)-2,5-dioxoimidazolidin-4-yl]propyl]acetamide is sourced from PubChem (CID 99868106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).