N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide

C10H18N2O2 — CID 110689693

IUPACN-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide
SMILESCC(C)CCNC(=O)C1CCC(=O)N1
InChIInChI=1S/C10H18N2O2/c1-7(2)5-6-11-10(14)8-3-4-9(13)12-8/h7-8H,3-6H2,1-2H3,(H,11,14)(H,12,13)
InChIKeyBMDLKEISTAGHRF-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.43
Rot. Bonds4

About N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide

N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 110689693) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID110689693
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC NameN-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide
SMILESCC(C)CCNC(=O)C1CCC(=O)N1
InChIInChI=1S/C10H18N2O2/c1-7(2)5-6-11-10(14)8-3-4-9(13)12-8/h7-8H,3-6H2,1-2H3,(H,11,14)(H,12,13)
InChIKeyBMDLKEISTAGHRF-UHFFFAOYSA-N
XLogP0.43
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[2-(methylamino)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 94537622
5-oxo-N-[2-[2-[(5-oxopyrrolidine-2-carbonyl)amino]ethylamino]ethyl]pyrrolidine-2-carboxamide
CID 155810723
N-[2-(2-hydroxypropylamino)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 104593841
N-(2-methoxyethyl)-5-oxopyrrolidine-2-carboxamide
CID 110689650
(2S)-N-(3-hydroxypropyl)-5-oxopyrrolidine-2-carboxamide
CID 103799933
(2S)-N-(3-aminopropyl)-5-oxopyrrolidine-2-carboxamide
CID 103805016
(2R)-N-(4-hydroxybutyl)-5-oxopyrrolidine-2-carboxamide
CID 107168306
N-(cyanomethyl)-5-oxopyrrolidine-2-carboxamide
CID 515622
N-(5-hydroxypentyl)-5-oxopyrrolidine-2-carboxamide
CID 107319131
N-(2,2-dimethoxyethyl)-5-oxopyrrolidine-2-carboxamide
CID 110462101
(2S)-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide
CID 11105798
5-oxo-N-[2-oxo-2-[2-[[2-[(5-oxopyrrolidine-2-carbonyl)amino]acetyl]amino]ethylamino]ethyl]pyrrolidine-2-carboxamide
CID 19751769

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide (CID 110689693) is N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide is CC(C)CCNC(=O)C1CCC(=O)N1.
What is the InChIKey of N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is BMDLKEISTAGHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-7(2)5-6-11-10(14)8-3-4-9(13)12-8/h7-8H,3-6H2,1-2H3,(H,11,14)(H,12,13).
What are the key properties of N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide?
N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 198.27 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 110689693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).