2-acetamido-N-[(3S)-2-oxopyrrolidin-3-yl]acetamide

C8H13N3O3 — CID 130649412

IUPAC2-acetamido-N-[(3S)-2-oxopyrrolidin-3-yl]acetamide
SMILESCC(=O)NCC(=O)N[C@H]1CCNC1=O
InChIInChI=1S/C8H13N3O3/c1-5(12)10-4-7(13)11-6-2-3-9-8(6)14/h6H,2-4H2,1H3,(H,9,14)(H,10,12)(H,11,13)/t6-/m0/s1
InChIKeyHVQFQEORKMYGJE-LURJTMIESA-N
MW199.21 g/mol
LogP-1.87
Rot. Bonds3

About 2-acetamido-N-[(3S)-2-oxopyrrolidin-3-yl]acetamide

2-acetamido-N-[(3S)-2-oxopyrrolidin-3-yl]acetamide (PubChem CID 130649412) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-acetamido-N-[(3S)-2-oxopyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-acetamido-N-[(3S)-2-oxopyrrolidin-3-yl]acetamide
PubChem CID130649412
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name2-acetamido-N-[(3S)-2-oxopyrrolidin-3-yl]acetamide
SMILESCC(=O)NCC(=O)N[C@H]1CCNC1=O
InChIInChI=1S/C8H13N3O3/c1-5(12)10-4-7(13)11-6-2-3-9-8(6)14/h6H,2-4H2,1H3,(H,9,14)(H,10,12)(H,11,13)/t6-/m0/s1
InChIKeyHVQFQEORKMYGJE-LURJTMIESA-N
XLogP-1.87
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-1.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[(3S)-2-oxopyrrolidin-3-yl]acetamide?
The IUPAC name of 2-acetamido-N-[(3S)-2-oxopyrrolidin-3-yl]acetamide (CID 130649412) is 2-acetamido-N-[(3S)-2-oxopyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-acetamido-N-[(3S)-2-oxopyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-acetamido-N-[(3S)-2-oxopyrrolidin-3-yl]acetamide is CC(=O)NCC(=O)N[C@H]1CCNC1=O.
What is the InChIKey of 2-acetamido-N-[(3S)-2-oxopyrrolidin-3-yl]acetamide?
The InChIKey is HVQFQEORKMYGJE-LURJTMIESA-N. The full InChI is InChI=1S/C8H13N3O3/c1-5(12)10-4-7(13)11-6-2-3-9-8(6)14/h6H,2-4H2,1H3,(H,9,14)(H,10,12)(H,11,13)/t6-/m0/s1.
What are the key properties of 2-acetamido-N-[(3S)-2-oxopyrrolidin-3-yl]acetamide?
2-acetamido-N-[(3S)-2-oxopyrrolidin-3-yl]acetamide has a molecular weight of 199.21 g/mol, XLogP of -1.87, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[(3S)-2-oxopyrrolidin-3-yl]acetamide is sourced from PubChem (CID 130649412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).