(2S)-N-tert-butyl-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide

C14H27N3O2 — CID 75411472

IUPAC(2S)-N-tert-butyl-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
SMILESCNC(=O)C(C)(C)N1CCC[C@H]1C(=O)NC(C)(C)C
InChIInChI=1S/C14H27N3O2/c1-13(2,3)16-11(18)10-8-7-9-17(10)14(4,5)12(19)15-6/h10H,7-9H2,1-6H3,(H,15,19)(H,16,18)/t10-/m0/s1
InChIKeyKSMXQQFOZLARLU-JTQLQIEISA-N
MW269.39 g/mol
LogP0.89
Rot. Bonds3

About (2S)-N-tert-butyl-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide

(2S)-N-tert-butyl-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide (PubChem CID 75411472) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is (2S)-N-tert-butyl-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-tert-butyl-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
PubChem CID75411472
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name(2S)-N-tert-butyl-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
SMILESCNC(=O)C(C)(C)N1CCC[C@H]1C(=O)NC(C)(C)C
InChIInChI=1S/C14H27N3O2/c1-13(2,3)16-11(18)10-8-7-9-17(10)14(4,5)12(19)15-6/h10H,7-9H2,1-6H3,(H,15,19)(H,16,18)/t10-/m0/s1
InChIKeyKSMXQQFOZLARLU-JTQLQIEISA-N
XLogP0.89
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-tert-butyl-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-tert-butyl-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide (CID 75411472) is (2S)-N-tert-butyl-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-tert-butyl-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-tert-butyl-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide is CNC(=O)C(C)(C)N1CCC[C@H]1C(=O)NC(C)(C)C.
What is the InChIKey of (2S)-N-tert-butyl-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is KSMXQQFOZLARLU-JTQLQIEISA-N. The full InChI is InChI=1S/C14H27N3O2/c1-13(2,3)16-11(18)10-8-7-9-17(10)14(4,5)12(19)15-6/h10H,7-9H2,1-6H3,(H,15,19)(H,16,18)/t10-/m0/s1.
What are the key properties of (2S)-N-tert-butyl-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide?
(2S)-N-tert-butyl-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 269.39 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-tert-butyl-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 75411472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).