N-(2,2-dimethoxyethyl)-5-oxopyrrolidine-2-carboxamide

C9H16N2O4 — CID 110462101

IUPACN-(2,2-dimethoxyethyl)-5-oxopyrrolidine-2-carboxamide
SMILESCOC(CNC(=O)C1CCC(=O)N1)OC
InChIInChI=1S/C9H16N2O4/c1-14-8(15-2)5-10-9(13)6-3-4-7(12)11-6/h6,8H,3-5H2,1-2H3,(H,10,13)(H,11,12)
InChIKeyWVYXHBFVXUKVIZ-UHFFFAOYSA-N
MW216.24 g/mol
LogP-1.00
Rot. Bonds5

About N-(2,2-dimethoxyethyl)-5-oxopyrrolidine-2-carboxamide

N-(2,2-dimethoxyethyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 110462101) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID110462101
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC NameN-(2,2-dimethoxyethyl)-5-oxopyrrolidine-2-carboxamide
SMILESCOC(CNC(=O)C1CCC(=O)N1)OC
InChIInChI=1S/C9H16N2O4/c1-14-8(15-2)5-10-9(13)6-3-4-7(12)11-6/h6,8H,3-5H2,1-2H3,(H,10,13)(H,11,12)
InChIKeyWVYXHBFVXUKVIZ-UHFFFAOYSA-N
XLogP-1.00
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminobutyl)-5-oxopyrrolidine-2-carboxamide
CID 63731996
N-(2-methoxyethyl)-5-oxopyrrolidine-2-carboxamide
CID 110689650
N-(cyanomethyl)-5-oxopyrrolidine-2-carboxamide
CID 515622
N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide
CID 110689693
N-(2,2-dimethoxyethyl)pyrrolidine-2-carboxamide
CID 61275078
(2S)-N-[2-(methylamino)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 94537622
5-oxo-N-[2-oxo-2-[2-[[2-[(5-oxopyrrolidine-2-carbonyl)amino]acetyl]amino]ethylamino]ethyl]pyrrolidine-2-carboxamide
CID 19751769
N-[2-(2-hydroxypropylamino)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 104593841
(3S)-5-methyl-3-[[(5-oxopyrrolidine-2-carbonyl)amino]methyl]hexanoic acid
CID 65493069
5-methyl-3-[[(5-oxopyrrolidine-2-carbonyl)amino]methyl]hexanoic acid
CID 65493096
5-oxo-N-[2-[2-[(5-oxopyrrolidine-2-carbonyl)amino]ethylamino]ethyl]pyrrolidine-2-carboxamide
CID 155810723
(2S)-N-(2-amino-2-methylpropyl)-5-oxopyrrolidine-2-carboxamide
CID 103807490

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-5-oxopyrrolidine-2-carboxamide (CID 110462101) is N-(2,2-dimethoxyethyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-5-oxopyrrolidine-2-carboxamide is COC(CNC(=O)C1CCC(=O)N1)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is WVYXHBFVXUKVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-14-8(15-2)5-10-9(13)6-3-4-7(12)11-6/h6,8H,3-5H2,1-2H3,(H,10,13)(H,11,12).
What are the key properties of N-(2,2-dimethoxyethyl)-5-oxopyrrolidine-2-carboxamide?
N-(2,2-dimethoxyethyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 216.24 g/mol, XLogP of -1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 110462101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).