N-butyl-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]acetamide

C12H21N3O3 — CID 3050860

IUPACN-butyl-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]acetamide
SMILESCCCCNC(=O)CNC(=O)CN1CCCC1=O
InChIInChI=1S/C12H21N3O3/c1-2-3-6-13-10(16)8-14-11(17)9-15-7-4-5-12(15)18/h2-9H2,1H3,(H,13,16)(H,14,17)
InChIKeyCXCDJTJAAYSFKP-UHFFFAOYSA-N
MW255.32 g/mol
LogP-0.36
Rot. Bonds7

About N-butyl-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]acetamide

N-butyl-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]acetamide (PubChem CID 3050860) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-butyl-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]acetamide.

Molecular Properties

Compound NameN-butyl-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]acetamide
PubChem CID3050860
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC NameN-butyl-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]acetamide
SMILESCCCCNC(=O)CNC(=O)CN1CCCC1=O
InChIInChI=1S/C12H21N3O3/c1-2-3-6-13-10(16)8-14-11(17)9-15-7-4-5-12(15)18/h2-9H2,1H3,(H,13,16)(H,14,17)
InChIKeyCXCDJTJAAYSFKP-UHFFFAOYSA-N
XLogP-0.36
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]acetamide?
The IUPAC name of N-butyl-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]acetamide (CID 3050860) is N-butyl-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]acetamide.
What is the SMILES notation for N-butyl-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]acetamide?
The canonical SMILES for N-butyl-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]acetamide is CCCCNC(=O)CNC(=O)CN1CCCC1=O.
What is the InChIKey of N-butyl-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]acetamide?
The InChIKey is CXCDJTJAAYSFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-2-3-6-13-10(16)8-14-11(17)9-15-7-4-5-12(15)18/h2-9H2,1H3,(H,13,16)(H,14,17).
What are the key properties of N-butyl-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]acetamide?
N-butyl-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]acetamide has a molecular weight of 255.32 g/mol, XLogP of -0.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]acetamide is sourced from PubChem (CID 3050860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).