(2S)-N-(1-methoxy-2-methylpropan-2-yl)-1-methyl-5-oxopyrrolidine-2-carboxamide

C11H20N2O3 — CID 164638664

IUPAC(2S)-N-(1-methoxy-2-methylpropan-2-yl)-1-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCOCC(C)(C)NC(=O)[C@@H]1CCC(=O)N1C
InChIInChI=1S/C11H20N2O3/c1-11(2,7-16-4)12-10(15)8-5-6-9(14)13(8)3/h8H,5-7H2,1-4H3,(H,12,15)/t8-/m0/s1
InChIKeyUTLJQWAYRLCUBS-QMMMGPOBSA-N
MW228.29 g/mol
LogP0.15
Rot. Bonds4

About (2S)-N-(1-methoxy-2-methylpropan-2-yl)-1-methyl-5-oxopyrrolidine-2-carboxamide

(2S)-N-(1-methoxy-2-methylpropan-2-yl)-1-methyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 164638664) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is (2S)-N-(1-methoxy-2-methylpropan-2-yl)-1-methyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(1-methoxy-2-methylpropan-2-yl)-1-methyl-5-oxopyrrolidine-2-carboxamide
PubChem CID164638664
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name(2S)-N-(1-methoxy-2-methylpropan-2-yl)-1-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCOCC(C)(C)NC(=O)[C@@H]1CCC(=O)N1C
InChIInChI=1S/C11H20N2O3/c1-11(2,7-16-4)12-10(15)8-5-6-9(14)13(8)3/h8H,5-7H2,1-4H3,(H,12,15)/t8-/m0/s1
InChIKeyUTLJQWAYRLCUBS-QMMMGPOBSA-N
XLogP0.15
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1-methoxy-2-methylpropan-2-yl)-1-methyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(1-methoxy-2-methylpropan-2-yl)-1-methyl-5-oxopyrrolidine-2-carboxamide (CID 164638664) is (2S)-N-(1-methoxy-2-methylpropan-2-yl)-1-methyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(1-methoxy-2-methylpropan-2-yl)-1-methyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(1-methoxy-2-methylpropan-2-yl)-1-methyl-5-oxopyrrolidine-2-carboxamide is COCC(C)(C)NC(=O)[C@@H]1CCC(=O)N1C.
What is the InChIKey of (2S)-N-(1-methoxy-2-methylpropan-2-yl)-1-methyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is UTLJQWAYRLCUBS-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-11(2,7-16-4)12-10(15)8-5-6-9(14)13(8)3/h8H,5-7H2,1-4H3,(H,12,15)/t8-/m0/s1.
What are the key properties of (2S)-N-(1-methoxy-2-methylpropan-2-yl)-1-methyl-5-oxopyrrolidine-2-carboxamide?
(2S)-N-(1-methoxy-2-methylpropan-2-yl)-1-methyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 228.29 g/mol, XLogP of 0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1-methoxy-2-methylpropan-2-yl)-1-methyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 164638664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).