tert-butyl 2-[(2S,3R)-3-acetyloxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-3-oxo-2-azaspiro[3.4]octane-5-carboxylate

C22H34N2O6 — CID 154587292

IUPACtert-butyl 2-[(2S,3R)-3-acetyloxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-3-oxo-2-azaspiro[3.4]octane-5-carboxylate
SMILESCC(=O)O[C@H](C)[C@@H](C(=O)N1CCCC1)N1CC2(CCCC2C(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C22H34N2O6/c1-14(29-15(2)25)17(18(26)23-11-6-7-12-23)24-13-22(20(24)28)10-8-9-16(22)19(27)30-21(3,4)5/h14,16-17H,6-13H2,1-5H3/t14-,16?,17+,22?/m1/s1
InChIKeyIOPJJUSVLACOHO-JIHWHLMZSA-N
MW422.52 g/mol
LogP1.90
Rot. Bonds5

About tert-butyl 2-[(2S,3R)-3-acetyloxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-3-oxo-2-azaspiro[3.4]octane-5-carboxylate

tert-butyl 2-[(2S,3R)-3-acetyloxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-3-oxo-2-azaspiro[3.4]octane-5-carboxylate (PubChem CID 154587292) has the molecular formula C22H34N2O6 and a molecular weight of 422.52 g/mol. Its IUPAC name is tert-butyl 2-[(2S,3R)-3-acetyloxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-3-oxo-2-azaspiro[3.4]octane-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[(2S,3R)-3-acetyloxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-3-oxo-2-azaspiro[3.4]octane-5-carboxylate
PubChem CID154587292
Molecular FormulaC22H34N2O6
Molecular Weight422.52 g/mol
Exact Mass422.24
IUPAC Nametert-butyl 2-[(2S,3R)-3-acetyloxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-3-oxo-2-azaspiro[3.4]octane-5-carboxylate
SMILESCC(=O)O[C@H](C)[C@@H](C(=O)N1CCCC1)N1CC2(CCCC2C(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C22H34N2O6/c1-14(29-15(2)25)17(18(26)23-11-6-7-12-23)24-13-22(20(24)28)10-8-9-16(22)19(27)30-21(3,4)5/h14,16-17H,6-13H2,1-5H3/t14-,16?,17+,22?/m1/s1
InChIKeyIOPJJUSVLACOHO-JIHWHLMZSA-N
XLogP1.90
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.52
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl 2-[(2S,3R)-3-acetyloxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-3-oxo-2-azaspiro[3.4]octane-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 2-[[(2S,3R)-3-acetyloxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamoyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylate;tert-butyl 2-[[(2S,3R)-3-acetyloxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamoyl]-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylate;tert-butyl 2-[(3R)-3-acetyloxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;tert-butyl 2-[(3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-3-oxo-2-azaspiro[3.4]octane-5-carboxylate;carbanide;2-[(3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2,5-diazaspiro[3.4]octan-3-one;1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylic acid;[(2R)-4-oxo-3-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-4-pyrrolidin-1-ylbutan-2-yl] acetate;palladium
CID 159210480
[3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-pyrrolidin-1-ylbutan-2-yl] acetate
CID 121304116
tert-butyl N-[1-(azepan-1-yl)-1-oxopropan-2-yl]carbamate
CID 24689322
tert-butyl spiro[4.5]decane-4-carboxylate
CID 66658048
tert-butyl N-[(3S)-1-[(2S,3R)-3-methoxy-1-morpholin-4-yl-1-oxobutan-2-yl]-2-oxopyrrolidin-3-yl]carbamate
CID 86606748
(1R,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-7-azaspiro[3.4]octane-7-carboxylic acid
CID 124639061
[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] acetate
CID 168848786
tert-butyl 1-(2-aminopropanoyl)piperidine-3-carboxylate
CID 165486896
2-[(2S,3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2,5-diazaspiro[3.4]octan-3-one
CID 121304107
tert-butyl 2-ethyl-4-methyl-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 59373297
tert-butyl 2-[(3-acetyloxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)carbamoyl]-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylate
CID 139327786
tert-butyl N-[1-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperidin-4-yl]carbamate
CID 95300418

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(2S,3R)-3-acetyloxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-3-oxo-2-azaspiro[3.4]octane-5-carboxylate?
The IUPAC name of tert-butyl 2-[(2S,3R)-3-acetyloxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-3-oxo-2-azaspiro[3.4]octane-5-carboxylate (CID 154587292) is tert-butyl 2-[(2S,3R)-3-acetyloxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-3-oxo-2-azaspiro[3.4]octane-5-carboxylate.
What is the SMILES notation for tert-butyl 2-[(2S,3R)-3-acetyloxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-3-oxo-2-azaspiro[3.4]octane-5-carboxylate?
The canonical SMILES for tert-butyl 2-[(2S,3R)-3-acetyloxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-3-oxo-2-azaspiro[3.4]octane-5-carboxylate is CC(=O)O[C@H](C)[C@@H](C(=O)N1CCCC1)N1CC2(CCCC2C(=O)OC(C)(C)C)C1=O.
What is the InChIKey of tert-butyl 2-[(2S,3R)-3-acetyloxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-3-oxo-2-azaspiro[3.4]octane-5-carboxylate?
The InChIKey is IOPJJUSVLACOHO-JIHWHLMZSA-N. The full InChI is InChI=1S/C22H34N2O6/c1-14(29-15(2)25)17(18(26)23-11-6-7-12-23)24-13-22(20(24)28)10-8-9-16(22)19(27)30-21(3,4)5/h14,16-17H,6-13H2,1-5H3/t14-,16?,17+,22?/m1/s1.
What are the key properties of tert-butyl 2-[(2S,3R)-3-acetyloxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-3-oxo-2-azaspiro[3.4]octane-5-carboxylate?
tert-butyl 2-[(2S,3R)-3-acetyloxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-3-oxo-2-azaspiro[3.4]octane-5-carboxylate has a molecular weight of 422.52 g/mol, XLogP of 1.90, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(2S,3R)-3-acetyloxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-3-oxo-2-azaspiro[3.4]octane-5-carboxylate is sourced from PubChem (CID 154587292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).