N-[2-(tert-butylamino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide

C11H19N3O3 — CID 78981721

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)(C)NC(=O)CNC(=O)C1CNC(=O)C1
InChIInChI=1S/C11H19N3O3/c1-11(2,3)14-9(16)6-13-10(17)7-4-8(15)12-5-7/h7H,4-6H2,1-3H3,(H,12,15)(H,13,17)(H,14,16)
InChIKeyDAIZXSKCOGQUBX-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.85
Rot. Bonds3

About N-[2-(tert-butylamino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide

N-[2-(tert-butylamino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 78981721) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID78981721
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)(C)NC(=O)CNC(=O)C1CNC(=O)C1
InChIInChI=1S/C11H19N3O3/c1-11(2,3)14-9(16)6-13-10(17)7-4-8(15)12-5-7/h7H,4-6H2,1-3H3,(H,12,15)(H,13,17)(H,14,16)
InChIKeyDAIZXSKCOGQUBX-UHFFFAOYSA-N
XLogP-0.85
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide (CID 78981721) is N-[2-(tert-butylamino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide is CC(C)(C)NC(=O)CNC(=O)C1CNC(=O)C1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is DAIZXSKCOGQUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-11(2,3)14-9(16)6-13-10(17)7-4-8(15)12-5-7/h7H,4-6H2,1-3H3,(H,12,15)(H,13,17)(H,14,16).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide?
N-[2-(tert-butylamino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 241.29 g/mol, XLogP of -0.85, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 78981721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).