(3R)-1-tert-butyl-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide

C14H26N2O2 — CID 9352536

IUPAC(3R)-1-tert-butyl-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide
SMILESCCC(CC)NC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1
InChIInChI=1S/C14H26N2O2/c1-6-11(7-2)15-13(18)10-8-12(17)16(9-10)14(3,4)5/h10-11H,6-9H2,1-5H3,(H,15,18)/t10-/m1/s1
InChIKeyIIQVSZMCPGTQLW-SNVBAGLBSA-N
MW254.37 g/mol
LogP1.94
Rot. Bonds4

About (3R)-1-tert-butyl-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide

(3R)-1-tert-butyl-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide (PubChem CID 9352536) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is (3R)-1-tert-butyl-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-tert-butyl-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide
PubChem CID9352536
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name(3R)-1-tert-butyl-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide
SMILESCCC(CC)NC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1
InChIInChI=1S/C14H26N2O2/c1-6-11(7-2)15-13(18)10-8-12(17)16(9-10)14(3,4)5/h10-11H,6-9H2,1-5H3,(H,15,18)/t10-/m1/s1
InChIKeyIIQVSZMCPGTQLW-SNVBAGLBSA-N
XLogP1.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R)-1-tert-butyl-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-1-tert-butyl-5-oxopyrrolidine-3-carboxylic acid
CID 735283
N-[(2S)-1-hydroxybutan-2-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 104981078
(3R)-5-oxo-N-pentan-3-yl-1-phenylpyrrolidine-3-carboxamide
CID 7438121
1-tert-butyl-N-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 18885871
methyl (3R)-1-tert-butyl-5-oxopyrrolidine-3-carboxylate
CID 92755216
N-[(2R)-1-hydroxybutan-2-yl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 103920300
1-(2-methylphenyl)-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide
CID 17080743
(3S)-N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide
CID 7438332
(3S)-1-(3,4-dimethylphenyl)-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide
CID 9393495
1-tert-butyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 17081114
(3R)-1-tert-butyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 9352419
1-tert-butyl-N-[(1-hydroxycyclohexyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 131914241

Frequently Asked Questions

What is the IUPAC name of (3R)-1-tert-butyl-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-tert-butyl-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide (CID 9352536) is (3R)-1-tert-butyl-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-tert-butyl-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-tert-butyl-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide is CCC(CC)NC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1.
What is the InChIKey of (3R)-1-tert-butyl-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide?
The InChIKey is IIQVSZMCPGTQLW-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-6-11(7-2)15-13(18)10-8-12(17)16(9-10)14(3,4)5/h10-11H,6-9H2,1-5H3,(H,15,18)/t10-/m1/s1.
What are the key properties of (3R)-1-tert-butyl-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide?
(3R)-1-tert-butyl-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide has a molecular weight of 254.37 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-tert-butyl-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 9352536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).