N-[(3R)-1-hydroxy-2,5-dioxopyrrolidin-3-yl]acetamide

C6H8N2O4 — CID 154274339

IUPACN-[(3R)-1-hydroxy-2,5-dioxopyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CC(=O)N(O)C1=O
InChIInChI=1S/C6H8N2O4/c1-3(9)7-4-2-5(10)8(12)6(4)11/h4,12H,2H2,1H3,(H,7,9)/t4-/m1/s1
InChIKeyOTKGBSPJCMROIF-SCSAIBSYSA-N
MW172.14 g/mol
LogP-1.36
Rot. Bonds1

About N-[(3R)-1-hydroxy-2,5-dioxopyrrolidin-3-yl]acetamide

N-[(3R)-1-hydroxy-2,5-dioxopyrrolidin-3-yl]acetamide (PubChem CID 154274339) has the molecular formula C6H8N2O4 and a molecular weight of 172.14 g/mol. Its IUPAC name is N-[(3R)-1-hydroxy-2,5-dioxopyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R)-1-hydroxy-2,5-dioxopyrrolidin-3-yl]acetamide
PubChem CID154274339
Molecular FormulaC6H8N2O4
Molecular Weight172.14 g/mol
Exact Mass172.05
IUPAC NameN-[(3R)-1-hydroxy-2,5-dioxopyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CC(=O)N(O)C1=O
InChIInChI=1S/C6H8N2O4/c1-3(9)7-4-2-5(10)8(12)6(4)11/h4,12H,2H2,1H3,(H,7,9)/t4-/m1/s1
InChIKeyOTKGBSPJCMROIF-SCSAIBSYSA-N
XLogP-1.36
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.14
LogP ≤ 5-1.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-hydroxy-2,5-dioxopyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3R)-1-hydroxy-2,5-dioxopyrrolidin-3-yl]acetamide (CID 154274339) is N-[(3R)-1-hydroxy-2,5-dioxopyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3R)-1-hydroxy-2,5-dioxopyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3R)-1-hydroxy-2,5-dioxopyrrolidin-3-yl]acetamide is CC(=O)N[C@@H]1CC(=O)N(O)C1=O.
What is the InChIKey of N-[(3R)-1-hydroxy-2,5-dioxopyrrolidin-3-yl]acetamide?
The InChIKey is OTKGBSPJCMROIF-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H8N2O4/c1-3(9)7-4-2-5(10)8(12)6(4)11/h4,12H,2H2,1H3,(H,7,9)/t4-/m1/s1.
What are the key properties of N-[(3R)-1-hydroxy-2,5-dioxopyrrolidin-3-yl]acetamide?
N-[(3R)-1-hydroxy-2,5-dioxopyrrolidin-3-yl]acetamide has a molecular weight of 172.14 g/mol, XLogP of -1.36, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-hydroxy-2,5-dioxopyrrolidin-3-yl]acetamide is sourced from PubChem (CID 154274339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).