tert-butyl (5S)-4-[(2R,3S)-3-acetyloxy-1-benzyl-4-oxoazetidin-2-yl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate

C23H32N2O6 — CID 134919885

IUPACtert-butyl (5S)-4-[(2R,3S)-3-acetyloxy-1-benzyl-4-oxoazetidin-2-yl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(=O)O[C@@H]1C(=O)N(Cc2ccccc2)[C@@H]1C1[C@H](C)OC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C23H32N2O6/c1-14-17(25(23(6,7)30-14)21(28)31-22(3,4)5)18-19(29-15(2)26)20(27)24(18)13-16-11-9-8-10-12-16/h8-12,14,17-19H,13H2,1-7H3/t14-,17?,18+,19-/m0/s1
InChIKeyQDKMZKRBHTYIKZ-SMTCWZGWSA-N
MW432.52 g/mol
LogP3.09
Rot. Bonds4

About tert-butyl (5S)-4-[(2R,3S)-3-acetyloxy-1-benzyl-4-oxoazetidin-2-yl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (5S)-4-[(2R,3S)-3-acetyloxy-1-benzyl-4-oxoazetidin-2-yl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 134919885) has the molecular formula C23H32N2O6 and a molecular weight of 432.52 g/mol. Its IUPAC name is tert-butyl (5S)-4-[(2R,3S)-3-acetyloxy-1-benzyl-4-oxoazetidin-2-yl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (5S)-4-[(2R,3S)-3-acetyloxy-1-benzyl-4-oxoazetidin-2-yl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID134919885
Molecular FormulaC23H32N2O6
Molecular Weight432.52 g/mol
Exact Mass432.23
IUPAC Nametert-butyl (5S)-4-[(2R,3S)-3-acetyloxy-1-benzyl-4-oxoazetidin-2-yl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(=O)O[C@@H]1C(=O)N(Cc2ccccc2)[C@@H]1C1[C@H](C)OC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C23H32N2O6/c1-14-17(25(23(6,7)30-14)21(28)31-22(3,4)5)18-19(29-15(2)26)20(27)24(18)13-16-11-9-8-10-12-16/h8-12,14,17-19H,13H2,1-7H3/t14-,17?,18+,19-/m0/s1
InChIKeyQDKMZKRBHTYIKZ-SMTCWZGWSA-N
XLogP3.09
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl (5S)-4-[(2R,3S)-3-acetyloxy-1-benzyl-4-oxoazetidin-2-yl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[[5-[(2R)-4-benzyl-2-methylpiperazine-1-carbonyl]oxolan-2-yl]methyl]carbamate
CID 71909541
[3-[benzyl(methyl)amino]azetidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 121559926
methyl (2S,4S)-4-acetyloxy-1-benzyl-5-oxopyrrolidine-2-carboxylate
CID 11312347
tert-butyl 4-[(2R,3S)-3-acetyloxy-1-benzyl-4-oxoazetidin-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 15675090
(3R,4S)-1-benzyl-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxyazetidin-2-one
CID 102241721
Methyl 3-[(4-fluorophenyl)methyl-(oxolane-2-carbonyl)amino]propanoate
CID 84334872
Ethyl 3-[(4-fluorophenyl)methyl-(oxolane-2-carbonyl)amino]propanoate
CID 84344649
3-[[(2S,3R)-1-benzyl-3-methoxy-4-oxoazetidin-2-yl]methyl]-6-methyl-4H-1,3-oxazin-2-one
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(2S,4R)-2-(N-benzyl-2-azetidinon-4-yl)-N-tert-butoxycarbonyl-4-tert-butyldimethylsiloxypyrrolidine
CID 57319918
tert-butyl (4R)-2-[[benzyl-(3-ethoxy-3-oxopropyl)amino]methyl]-4-butoxypyrrolidine-1-carboxylate
CID 90227190
Tert-butyl 2-[[benzyl-(3-ethoxy-3-oxopropyl)amino]methyl]-4-butoxypyrrolidine-1-carboxylate
CID 90227192
[(3S)-1-(benzylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxo-4-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl] acetate
CID 162685343

Frequently Asked Questions

What is the IUPAC name of tert-butyl (5S)-4-[(2R,3S)-3-acetyloxy-1-benzyl-4-oxoazetidin-2-yl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (5S)-4-[(2R,3S)-3-acetyloxy-1-benzyl-4-oxoazetidin-2-yl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate (CID 134919885) is tert-butyl (5S)-4-[(2R,3S)-3-acetyloxy-1-benzyl-4-oxoazetidin-2-yl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (5S)-4-[(2R,3S)-3-acetyloxy-1-benzyl-4-oxoazetidin-2-yl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (5S)-4-[(2R,3S)-3-acetyloxy-1-benzyl-4-oxoazetidin-2-yl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate is CC(=O)O[C@@H]1C(=O)N(Cc2ccccc2)[C@@H]1C1[C@H](C)OC(C)(C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (5S)-4-[(2R,3S)-3-acetyloxy-1-benzyl-4-oxoazetidin-2-yl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is QDKMZKRBHTYIKZ-SMTCWZGWSA-N. The full InChI is InChI=1S/C23H32N2O6/c1-14-17(25(23(6,7)30-14)21(28)31-22(3,4)5)18-19(29-15(2)26)20(27)24(18)13-16-11-9-8-10-12-16/h8-12,14,17-19H,13H2,1-7H3/t14-,17?,18+,19-/m0/s1.
What are the key properties of tert-butyl (5S)-4-[(2R,3S)-3-acetyloxy-1-benzyl-4-oxoazetidin-2-yl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (5S)-4-[(2R,3S)-3-acetyloxy-1-benzyl-4-oxoazetidin-2-yl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 432.52 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (5S)-4-[(2R,3S)-3-acetyloxy-1-benzyl-4-oxoazetidin-2-yl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 134919885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).