(2S)-N-tert-butyl-2-methyl-2-propan-2-ylpyrrolidine-1-carboxamide

C13H26N2O — CID 69168938

IUPAC(2S)-N-tert-butyl-2-methyl-2-propan-2-ylpyrrolidine-1-carboxamide
SMILESCC(C)[C@]1(C)CCCN1C(=O)NC(C)(C)C
InChIInChI=1S/C13H26N2O/c1-10(2)13(6)8-7-9-15(13)11(16)14-12(3,4)5/h10H,7-9H2,1-6H3,(H,14,16)/t13-/m0/s1
InChIKeyJVEOSSUZSXTIJG-ZDUSSCGKSA-N
MW226.36 g/mol
LogP3.01
Rot. Bonds1

About (2S)-N-tert-butyl-2-methyl-2-propan-2-ylpyrrolidine-1-carboxamide

(2S)-N-tert-butyl-2-methyl-2-propan-2-ylpyrrolidine-1-carboxamide (PubChem CID 69168938) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is (2S)-N-tert-butyl-2-methyl-2-propan-2-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-tert-butyl-2-methyl-2-propan-2-ylpyrrolidine-1-carboxamide
PubChem CID69168938
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name(2S)-N-tert-butyl-2-methyl-2-propan-2-ylpyrrolidine-1-carboxamide
SMILESCC(C)[C@]1(C)CCCN1C(=O)NC(C)(C)C
InChIInChI=1S/C13H26N2O/c1-10(2)13(6)8-7-9-15(13)11(16)14-12(3,4)5/h10H,7-9H2,1-6H3,(H,14,16)/t13-/m0/s1
InChIKeyJVEOSSUZSXTIJG-ZDUSSCGKSA-N
XLogP3.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-tert-butyl-2-methyl-2-propan-2-ylpyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-tert-butyl-2-methyl-2-propan-2-ylpyrrolidine-1-carboxamide (CID 69168938) is (2S)-N-tert-butyl-2-methyl-2-propan-2-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-tert-butyl-2-methyl-2-propan-2-ylpyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-tert-butyl-2-methyl-2-propan-2-ylpyrrolidine-1-carboxamide is CC(C)[C@]1(C)CCCN1C(=O)NC(C)(C)C.
What is the InChIKey of (2S)-N-tert-butyl-2-methyl-2-propan-2-ylpyrrolidine-1-carboxamide?
The InChIKey is JVEOSSUZSXTIJG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H26N2O/c1-10(2)13(6)8-7-9-15(13)11(16)14-12(3,4)5/h10H,7-9H2,1-6H3,(H,14,16)/t13-/m0/s1.
What are the key properties of (2S)-N-tert-butyl-2-methyl-2-propan-2-ylpyrrolidine-1-carboxamide?
(2S)-N-tert-butyl-2-methyl-2-propan-2-ylpyrrolidine-1-carboxamide has a molecular weight of 226.36 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-tert-butyl-2-methyl-2-propan-2-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 69168938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).