tert-butyl 2-[(3R)-5,5-dimethyl-2-oxopyrrolidin-3-yl]acetate

C12H21NO3 — CID 163782535

IUPACtert-butyl 2-[(3R)-5,5-dimethyl-2-oxopyrrolidin-3-yl]acetate
SMILESCC1(C)C[C@H](CC(=O)OC(C)(C)C)C(=O)N1
InChIInChI=1S/C12H21NO3/c1-11(2,3)16-9(14)6-8-7-12(4,5)13-10(8)15/h8H,6-7H2,1-5H3,(H,13,15)/t8-/m0/s1
InChIKeyMPUHVOWWGQUMAN-QMMMGPOBSA-N
MW227.30 g/mol
LogP1.63
Rot. Bonds2

About tert-butyl 2-[(3R)-5,5-dimethyl-2-oxopyrrolidin-3-yl]acetate

tert-butyl 2-[(3R)-5,5-dimethyl-2-oxopyrrolidin-3-yl]acetate (PubChem CID 163782535) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is tert-butyl 2-[(3R)-5,5-dimethyl-2-oxopyrrolidin-3-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(3R)-5,5-dimethyl-2-oxopyrrolidin-3-yl]acetate
PubChem CID163782535
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Nametert-butyl 2-[(3R)-5,5-dimethyl-2-oxopyrrolidin-3-yl]acetate
SMILESCC1(C)C[C@H](CC(=O)OC(C)(C)C)C(=O)N1
InChIInChI=1S/C12H21NO3/c1-11(2,3)16-9(14)6-8-7-12(4,5)13-10(8)15/h8H,6-7H2,1-5H3,(H,13,15)/t8-/m0/s1
InChIKeyMPUHVOWWGQUMAN-QMMMGPOBSA-N
XLogP1.63
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[1-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-3-oxopropan-2-yl]carbamate
CID 167481864
methyl (2S)-3-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 162479345
tert-butyl N-[(2S)-3-[(3S)-5,5-dimethyl-2-oxopyrrolidin-3-yl]-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamate
CID 162695953
tert-butyl 2-(2,3-dioxocyclopentyl)acetate
CID 91496821
tert-butyl 2-[10-(hydroxymethyl)-2-oxoazecan-3-yl]acetate
CID 19930843
(2S)-2-[[(2S)-3-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-(5,5-dimethyl-2-oxopyrrolidin-3-yl)propanoic acid
CID 175458218
methyl (2S)-2-[[(2S)-3-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-(5,5-dimethyl-2-oxopyrrolidin-3-yl)propanoate
CID 162479406
tert-butyl 2-(2-oxo-3-prop-2-ynylcyclopentyl)acetate
CID 122443653
(2S)-2-amino-3-[(3R)-5,5-dimethyl-2-oxopyrrolidin-3-yl]-N-methoxy-N-methylpropanamide
CID 162695443
tert-butyl 2-(3-methyl-2,4-dioxocyclohexyl)acetate
CID 23253643
3-(3-hydroxybutyl)-5,5-dimethylpyrrolidin-2-one
CID 139389161
tert-butyl N-[1-[[1-[[1-amino-3-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-1-oxopropan-2-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 175458022

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(3R)-5,5-dimethyl-2-oxopyrrolidin-3-yl]acetate?
The IUPAC name of tert-butyl 2-[(3R)-5,5-dimethyl-2-oxopyrrolidin-3-yl]acetate (CID 163782535) is tert-butyl 2-[(3R)-5,5-dimethyl-2-oxopyrrolidin-3-yl]acetate.
What is the SMILES notation for tert-butyl 2-[(3R)-5,5-dimethyl-2-oxopyrrolidin-3-yl]acetate?
The canonical SMILES for tert-butyl 2-[(3R)-5,5-dimethyl-2-oxopyrrolidin-3-yl]acetate is CC1(C)C[C@H](CC(=O)OC(C)(C)C)C(=O)N1.
What is the InChIKey of tert-butyl 2-[(3R)-5,5-dimethyl-2-oxopyrrolidin-3-yl]acetate?
The InChIKey is MPUHVOWWGQUMAN-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H21NO3/c1-11(2,3)16-9(14)6-8-7-12(4,5)13-10(8)15/h8H,6-7H2,1-5H3,(H,13,15)/t8-/m0/s1.
What are the key properties of tert-butyl 2-[(3R)-5,5-dimethyl-2-oxopyrrolidin-3-yl]acetate?
tert-butyl 2-[(3R)-5,5-dimethyl-2-oxopyrrolidin-3-yl]acetate has a molecular weight of 227.30 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(3R)-5,5-dimethyl-2-oxopyrrolidin-3-yl]acetate is sourced from PubChem (CID 163782535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).