(2S)-N,2-ditert-butyl-2-methylpyrrolidine-1-carboxamide

C14H28N2O — CID 69164839

IUPAC(2S)-N,2-ditert-butyl-2-methylpyrrolidine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCC[C@@]1(C)C(C)(C)C
InChIInChI=1S/C14H28N2O/c1-12(2,3)14(7)9-8-10-16(14)11(17)15-13(4,5)6/h8-10H2,1-7H3,(H,15,17)/t14-/m0/s1
InChIKeyFKJSNFFCELCTDN-AWEZNQCLSA-N
MW240.39 g/mol
LogP3.40
Rot. Bonds

About (2S)-N,2-ditert-butyl-2-methylpyrrolidine-1-carboxamide

(2S)-N,2-ditert-butyl-2-methylpyrrolidine-1-carboxamide (PubChem CID 69164839) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is (2S)-N,2-ditert-butyl-2-methylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N,2-ditert-butyl-2-methylpyrrolidine-1-carboxamide
PubChem CID69164839
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name(2S)-N,2-ditert-butyl-2-methylpyrrolidine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCC[C@@]1(C)C(C)(C)C
InChIInChI=1S/C14H28N2O/c1-12(2,3)14(7)9-8-10-16(14)11(17)15-13(4,5)6/h8-10H2,1-7H3,(H,15,17)/t14-/m0/s1
InChIKeyFKJSNFFCELCTDN-AWEZNQCLSA-N
XLogP3.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-N,2-ditert-butyl-2-methylpyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N,2-ditert-butyl-2-methylpyrrolidine-1-carboxamide (CID 69164839) is (2S)-N,2-ditert-butyl-2-methylpyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N,2-ditert-butyl-2-methylpyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N,2-ditert-butyl-2-methylpyrrolidine-1-carboxamide is CC(C)(C)NC(=O)N1CCC[C@@]1(C)C(C)(C)C.
What is the InChIKey of (2S)-N,2-ditert-butyl-2-methylpyrrolidine-1-carboxamide?
The InChIKey is FKJSNFFCELCTDN-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H28N2O/c1-12(2,3)14(7)9-8-10-16(14)11(17)15-13(4,5)6/h8-10H2,1-7H3,(H,15,17)/t14-/m0/s1.
What are the key properties of (2S)-N,2-ditert-butyl-2-methylpyrrolidine-1-carboxamide?
(2S)-N,2-ditert-butyl-2-methylpyrrolidine-1-carboxamide has a molecular weight of 240.39 g/mol, XLogP of 3.40, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,2-ditert-butyl-2-methylpyrrolidine-1-carboxamide is sourced from PubChem (CID 69164839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).