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

C12H23N3O2 — CID 79388327

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-2-methylpyrrolidine-3-carboxamide
SMILESCC1NCCC1C(=O)NCC(=O)NC(C)(C)C
InChIInChI=1S/C12H23N3O2/c1-8-9(5-6-13-8)11(17)14-7-10(16)15-12(2,3)4/h8-9,13H,5-7H2,1-4H3,(H,14,17)(H,15,16)
InChIKeySBNWFVYKVJILRU-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.02
Rot. Bonds3

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

N-[2-(tert-butylamino)-2-oxoethyl]-2-methylpyrrolidine-3-carboxamide (PubChem CID 79388327) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-2-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-2-methylpyrrolidine-3-carboxamide
PubChem CID79388327
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-2-methylpyrrolidine-3-carboxamide
SMILESCC1NCCC1C(=O)NCC(=O)NC(C)(C)C
InChIInChI=1S/C12H23N3O2/c1-8-9(5-6-13-8)11(17)14-7-10(16)15-12(2,3)4/h8-9,13H,5-7H2,1-4H3,(H,14,17)(H,15,16)
InChIKeySBNWFVYKVJILRU-UHFFFAOYSA-N
XLogP0.02
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.02
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]-2-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-2-methylpyrrolidine-3-carboxamide (CID 79388327) is N-[2-(tert-butylamino)-2-oxoethyl]-2-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-2-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-2-methylpyrrolidine-3-carboxamide is CC1NCCC1C(=O)NCC(=O)NC(C)(C)C.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-2-methylpyrrolidine-3-carboxamide?
The InChIKey is SBNWFVYKVJILRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-8-9(5-6-13-8)11(17)14-7-10(16)15-12(2,3)4/h8-9,13H,5-7H2,1-4H3,(H,14,17)(H,15,16).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-2-methylpyrrolidine-3-carboxamide?
N-[2-(tert-butylamino)-2-oxoethyl]-2-methylpyrrolidine-3-carboxamide has a molecular weight of 241.33 g/mol, XLogP of 0.02, 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]-2-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 79388327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).