N-tert-butyl-5-oxopyrrolidine-3-carboxamide

C9H16N2O2 — CID 78981963

IUPACN-tert-butyl-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)(C)NC(=O)C1CNC(=O)C1
InChIInChI=1S/C9H16N2O2/c1-9(2,3)11-8(13)6-4-7(12)10-5-6/h6H,4-5H2,1-3H3,(H,10,12)(H,11,13)
InChIKeyQLPIGWOWPQEMBY-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.04
Rot. Bonds1

About N-tert-butyl-5-oxopyrrolidine-3-carboxamide

N-tert-butyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 78981963) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is N-tert-butyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-oxopyrrolidine-3-carboxamide
PubChem CID78981963
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC NameN-tert-butyl-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)(C)NC(=O)C1CNC(=O)C1
InChIInChI=1S/C9H16N2O2/c1-9(2,3)11-8(13)6-4-7(12)10-5-6/h6H,4-5H2,1-3H3,(H,10,12)(H,11,13)
InChIKeyQLPIGWOWPQEMBY-UHFFFAOYSA-N
XLogP0.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(tert-butylamino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
CID 78981721
3,3-dimethyl-2-[(5-oxopyrrolidine-3-carbonyl)amino]butanoic acid
CID 83192584
5-oxo-N-(2,2,3-trimethylbutyl)pyrrolidine-3-carboxamide
CID 102610483
tert-butyl (3R)-5-oxopyrrolidine-3-carboxylate
CID 124575955
2,2,3-trimethyl-3-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid
CID 83191699
N-(3-methylbutan-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 78981655
N-(2-ethyl-2-hydroxybutyl)-5-oxopyrrolidine-3-carboxamide
CID 79039925
2-methyl-2-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid
CID 83193576
N-(3,5-dimethylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
CID 78998864
N-(1-amino-2-cyclopropylpropan-2-yl)-6-oxopiperidine-3-carboxamide
CID 81486889
5-oxo-N-[1-(4-propan-2-ylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 78981922
3-methyl-2-[(5-oxopyrrolidine-3-carbonyl)amino]butanoic acid
CID 81455410

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-tert-butyl-5-oxopyrrolidine-3-carboxamide (CID 78981963) is N-tert-butyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-tert-butyl-5-oxopyrrolidine-3-carboxamide is CC(C)(C)NC(=O)C1CNC(=O)C1.
What is the InChIKey of N-tert-butyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is QLPIGWOWPQEMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-9(2,3)11-8(13)6-4-7(12)10-5-6/h6H,4-5H2,1-3H3,(H,10,12)(H,11,13).
What are the key properties of N-tert-butyl-5-oxopyrrolidine-3-carboxamide?
N-tert-butyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 184.24 g/mol, XLogP of 0.04, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 78981963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).