N-(2-ethyl-2-hydroxybutyl)-5-oxopyrrolidine-3-carboxamide

C11H20N2O3 — CID 79039925

IUPACN-(2-ethyl-2-hydroxybutyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCC(O)(CC)CNC(=O)C1CNC(=O)C1
InChIInChI=1S/C11H20N2O3/c1-3-11(16,4-2)7-13-10(15)8-5-9(14)12-6-8/h8,16H,3-7H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyZKXWBBGKFAMFHA-UHFFFAOYSA-N
MW228.29 g/mol
LogP-0.21
Rot. Bonds5

About N-(2-ethyl-2-hydroxybutyl)-5-oxopyrrolidine-3-carboxamide

N-(2-ethyl-2-hydroxybutyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 79039925) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is N-(2-ethyl-2-hydroxybutyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-2-hydroxybutyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID79039925
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC NameN-(2-ethyl-2-hydroxybutyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCC(O)(CC)CNC(=O)C1CNC(=O)C1
InChIInChI=1S/C11H20N2O3/c1-3-11(16,4-2)7-13-10(15)8-5-9(14)12-6-8/h8,16H,3-7H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyZKXWBBGKFAMFHA-UHFFFAOYSA-N
XLogP-0.21
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-oxo-N-(2,2,3-trimethylbutyl)pyrrolidine-3-carboxamide
CID 102610483
N-(2-hydroxy-2-methylbutyl)-6-oxopiperidine-3-carboxamide
CID 79039671
N-(2-ethylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 115613116
N-(2-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 83192944
N-[2-(diethylamino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
CID 113228049
N-[2-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 78983231
N-[2-(tert-butylamino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
CID 78981721
N-(2-aminoethyl)-5-oxopyrrolidine-3-carboxamide
CID 81459469
N-[2-[ethyl(methyl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 78983956
N-tert-butyl-5-oxopyrrolidine-3-carboxamide
CID 78981963
N-(2-chloroprop-2-enyl)-5-oxopyrrolidine-3-carboxamide
CID 115636687
N-(3-aminopropyl)-5-oxopyrrolidine-3-carboxamide
CID 81469853

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-hydroxybutyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2-ethyl-2-hydroxybutyl)-5-oxopyrrolidine-3-carboxamide (CID 79039925) is N-(2-ethyl-2-hydroxybutyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-ethyl-2-hydroxybutyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-ethyl-2-hydroxybutyl)-5-oxopyrrolidine-3-carboxamide is CCC(O)(CC)CNC(=O)C1CNC(=O)C1.
What is the InChIKey of N-(2-ethyl-2-hydroxybutyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ZKXWBBGKFAMFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-3-11(16,4-2)7-13-10(15)8-5-9(14)12-6-8/h8,16H,3-7H2,1-2H3,(H,12,14)(H,13,15).
What are the key properties of N-(2-ethyl-2-hydroxybutyl)-5-oxopyrrolidine-3-carboxamide?
N-(2-ethyl-2-hydroxybutyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 228.29 g/mol, XLogP of -0.21, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-hydroxybutyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 79039925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).