N-[(3R)-2,5-dioxo-1-(2-oxopropyl)pyrrolidin-3-yl]acetamide

C9H12N2O4 — CID 161407996

IUPACN-[(3R)-2,5-dioxo-1-(2-oxopropyl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)CN1C(=O)C[C@@H](NC(C)=O)C1=O
InChIInChI=1S/C9H12N2O4/c1-5(12)4-11-8(14)3-7(9(11)15)10-6(2)13/h7H,3-4H2,1-2H3,(H,10,13)/t7-/m1/s1
InChIKeyMBEMRPQBMJDLGT-SSDOTTSWSA-N
MW212.20 g/mol
LogP-1.16
Rot. Bonds3

About N-[(3R)-2,5-dioxo-1-(2-oxopropyl)pyrrolidin-3-yl]acetamide

N-[(3R)-2,5-dioxo-1-(2-oxopropyl)pyrrolidin-3-yl]acetamide (PubChem CID 161407996) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is N-[(3R)-2,5-dioxo-1-(2-oxopropyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R)-2,5-dioxo-1-(2-oxopropyl)pyrrolidin-3-yl]acetamide
PubChem CID161407996
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC NameN-[(3R)-2,5-dioxo-1-(2-oxopropyl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)CN1C(=O)C[C@@H](NC(C)=O)C1=O
InChIInChI=1S/C9H12N2O4/c1-5(12)4-11-8(14)3-7(9(11)15)10-6(2)13/h7H,3-4H2,1-2H3,(H,10,13)/t7-/m1/s1
InChIKeyMBEMRPQBMJDLGT-SSDOTTSWSA-N
XLogP-1.16
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 5-1.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-2,5-dioxo-1-(2-oxopropyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3R)-2,5-dioxo-1-(2-oxopropyl)pyrrolidin-3-yl]acetamide (CID 161407996) is N-[(3R)-2,5-dioxo-1-(2-oxopropyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3R)-2,5-dioxo-1-(2-oxopropyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3R)-2,5-dioxo-1-(2-oxopropyl)pyrrolidin-3-yl]acetamide is CC(=O)CN1C(=O)C[C@@H](NC(C)=O)C1=O.
What is the InChIKey of N-[(3R)-2,5-dioxo-1-(2-oxopropyl)pyrrolidin-3-yl]acetamide?
The InChIKey is MBEMRPQBMJDLGT-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-5(12)4-11-8(14)3-7(9(11)15)10-6(2)13/h7H,3-4H2,1-2H3,(H,10,13)/t7-/m1/s1.
What are the key properties of N-[(3R)-2,5-dioxo-1-(2-oxopropyl)pyrrolidin-3-yl]acetamide?
N-[(3R)-2,5-dioxo-1-(2-oxopropyl)pyrrolidin-3-yl]acetamide has a molecular weight of 212.20 g/mol, XLogP of -1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-2,5-dioxo-1-(2-oxopropyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 161407996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).