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

C12H24N2O — CID 58492314

IUPAC(2S)-1-tert-butyl-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)NC(=O)[C@@H]1CCCN1C(C)(C)C
InChIInChI=1S/C12H24N2O/c1-9(2)13-11(15)10-7-6-8-14(10)12(3,4)5/h9-10H,6-8H2,1-5H3,(H,13,15)/t10-/m0/s1
InChIKeyNBMCNTCJDCFVBF-JTQLQIEISA-N
MW212.34 g/mol
LogP1.77
Rot. Bonds2

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

(2S)-1-tert-butyl-N-propan-2-ylpyrrolidine-2-carboxamide (PubChem CID 58492314) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is (2S)-1-tert-butyl-N-propan-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-tert-butyl-N-propan-2-ylpyrrolidine-2-carboxamide
PubChem CID58492314
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name(2S)-1-tert-butyl-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)NC(=O)[C@@H]1CCCN1C(C)(C)C
InChIInChI=1S/C12H24N2O/c1-9(2)13-11(15)10-7-6-8-14(10)12(3,4)5/h9-10H,6-8H2,1-5H3,(H,13,15)/t10-/m0/s1
InChIKeyNBMCNTCJDCFVBF-JTQLQIEISA-N
XLogP1.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butylpyrrolidine-2-carbonyl fluoride
CID 87646722
(2S)-1-[(2S)-2-hydroxypropanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide
CID 14607704
1-(2-acetamido-3,3-dimethylbutanoyl)-N-propan-2-ylpyrrolidine-2-carboxamide
CID 59540150
methyl 2-(propan-2-ylcarbamoyl)pyrrolidine-1-carboxylate;molecular hydrogen
CID 169160570
(2S)-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]-N-propan-2-ylpyrrolidine-2-carboxamide
CID 75529692
(2R)-1-tert-butyl-N-methoxy-N-methylpyrrolidine-2-carboxamide
CID 89401756
1-tert-butyl-N,N-dimethylpiperidine-2-carboxamide
CID 58877794
2,2,2-trifluoroethyl (2S)-2-(propan-2-ylcarbamoyl)pyrrolidine-1-carboxylate
CID 95244930
[1-(1-tert-butylpyrrolidine-2-carbonyl)pyrrolidin-2-yl]-[2-(2-methylpropyl)pyrrolidin-1-yl]methanone
CID 176781648
1-(1-tert-butylpyrrolidine-2-carbonyl)pyrrole-2,5-dione
CID 170653035
(2S)-1-methyl-N-[(2S)-3-methylbutan-2-yl]pyrrolidine-2-carboxamide
CID 54565310
1-(2,2-dimethylpropanoyl)-N-[(2R)-1-hydroxypropan-2-yl]pyrrolidine-2-carboxamide
CID 79031217

Frequently Asked Questions

What is the IUPAC name of (2S)-1-tert-butyl-N-propan-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-tert-butyl-N-propan-2-ylpyrrolidine-2-carboxamide (CID 58492314) is (2S)-1-tert-butyl-N-propan-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-tert-butyl-N-propan-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-tert-butyl-N-propan-2-ylpyrrolidine-2-carboxamide is CC(C)NC(=O)[C@@H]1CCCN1C(C)(C)C.
What is the InChIKey of (2S)-1-tert-butyl-N-propan-2-ylpyrrolidine-2-carboxamide?
The InChIKey is NBMCNTCJDCFVBF-JTQLQIEISA-N. The full InChI is InChI=1S/C12H24N2O/c1-9(2)13-11(15)10-7-6-8-14(10)12(3,4)5/h9-10H,6-8H2,1-5H3,(H,13,15)/t10-/m0/s1.
What are the key properties of (2S)-1-tert-butyl-N-propan-2-ylpyrrolidine-2-carboxamide?
(2S)-1-tert-butyl-N-propan-2-ylpyrrolidine-2-carboxamide has a molecular weight of 212.34 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-tert-butyl-N-propan-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 58492314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).