N-(3-methylbutan-2-yl)-5-oxopyrrolidine-3-carboxamide

C10H18N2O2 — CID 78981655

IUPACN-(3-methylbutan-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)C(C)NC(=O)C1CNC(=O)C1
InChIInChI=1S/C10H18N2O2/c1-6(2)7(3)12-10(14)8-4-9(13)11-5-8/h6-8H,4-5H2,1-3H3,(H,11,13)(H,12,14)
InChIKeyQODYIRKRRARVGZ-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.28
Rot. Bonds3

About N-(3-methylbutan-2-yl)-5-oxopyrrolidine-3-carboxamide

N-(3-methylbutan-2-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 78981655) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID78981655
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC NameN-(3-methylbutan-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)C(C)NC(=O)C1CNC(=O)C1
InChIInChI=1S/C10H18N2O2/c1-6(2)7(3)12-10(14)8-4-9(13)11-5-8/h6-8H,4-5H2,1-3H3,(H,11,13)(H,12,14)
InChIKeyQODYIRKRRARVGZ-UHFFFAOYSA-N
XLogP0.28
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2-[(5-oxopyrrolidine-3-carbonyl)amino]butanoic acid
CID 81455410
N-but-3-en-2-yl-5-oxopyrrolidine-3-carboxamide
CID 115692112
3,3-dimethyl-2-[(5-oxopyrrolidine-3-carbonyl)amino]butanoic acid
CID 83192584
5-[(5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid
CID 83193053
5-oxo-N-[1-(4-propan-2-ylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 78981922
N-[1-(4-fluorophenyl)-2-methylpropyl]-5-oxopyrrolidine-3-carboxamide
CID 78982142
N-[1-(1-adamantyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 78982449
N-(3-ethylpentan-2-yl)-6-oxopiperidine-3-carboxamide
CID 78952778
N-[1-(2-chlorophenyl)-2-methylpropyl]-5-oxopyrrolidine-3-carboxamide
CID 136525993
N-(2-amino-3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 81486208
N-tert-butyl-5-oxopyrrolidine-3-carboxamide
CID 78981963
3-[(5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid
CID 83193723

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutan-2-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(3-methylbutan-2-yl)-5-oxopyrrolidine-3-carboxamide (CID 78981655) is N-(3-methylbutan-2-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-methylbutan-2-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-methylbutan-2-yl)-5-oxopyrrolidine-3-carboxamide is CC(C)C(C)NC(=O)C1CNC(=O)C1.
What is the InChIKey of N-(3-methylbutan-2-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is QODYIRKRRARVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-6(2)7(3)12-10(14)8-4-9(13)11-5-8/h6-8H,4-5H2,1-3H3,(H,11,13)(H,12,14).
What are the key properties of N-(3-methylbutan-2-yl)-5-oxopyrrolidine-3-carboxamide?
N-(3-methylbutan-2-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 198.27 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 78981655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).