tert-butyl N-[(1S)-1-[(2R,3S)-1-benzyl-3-hydroxy-4-oxoazetidin-2-yl]ethyl]carbamate

C17H24N2O4 — CID 10064623

IUPACtert-butyl N-[(1S)-1-[(2R,3S)-1-benzyl-3-hydroxy-4-oxoazetidin-2-yl]ethyl]carbamate
SMILESC[C@H](NC(=O)OC(C)(C)C)[C@@H]1[C@H](O)C(=O)N1Cc1ccccc1
InChIInChI=1S/C17H24N2O4/c1-11(18-16(22)23-17(2,3)4)13-14(20)15(21)19(13)10-12-8-6-5-7-9-12/h5-9,11,13-14,20H,10H2,1-4H3,(H,18,22)/t11-,13+,14-/m0/s1
InChIKeyFTZUARPOCLVWKS-YUTCNCBUSA-N
MW320.39 g/mol
LogP1.67
Rot. Bonds4

About tert-butyl N-[(1S)-1-[(2R,3S)-1-benzyl-3-hydroxy-4-oxoazetidin-2-yl]ethyl]carbamate

tert-butyl N-[(1S)-1-[(2R,3S)-1-benzyl-3-hydroxy-4-oxoazetidin-2-yl]ethyl]carbamate (PubChem CID 10064623) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1-[(2R,3S)-1-benzyl-3-hydroxy-4-oxoazetidin-2-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-1-[(2R,3S)-1-benzyl-3-hydroxy-4-oxoazetidin-2-yl]ethyl]carbamate
PubChem CID10064623
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Nametert-butyl N-[(1S)-1-[(2R,3S)-1-benzyl-3-hydroxy-4-oxoazetidin-2-yl]ethyl]carbamate
SMILESC[C@H](NC(=O)OC(C)(C)C)[C@@H]1[C@H](O)C(=O)N1Cc1ccccc1
InChIInChI=1S/C17H24N2O4/c1-11(18-16(22)23-17(2,3)4)13-14(20)15(21)19(13)10-12-8-6-5-7-9-12/h5-9,11,13-14,20H,10H2,1-4H3,(H,18,22)/t11-,13+,14-/m0/s1
InChIKeyFTZUARPOCLVWKS-YUTCNCBUSA-N
XLogP1.67
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl N-[(1S)-1-(benzylcarbamoyl)-2-hydroxyethyl]carbamate
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tert-butyl (S)-1-(dibenzylamino)-5-((S)-1-hydroxy-4-methylpentan-2-ylamino)-1,5-dioxopentan-2-ylcarbamate
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tert-butyl N-[4-[(1-amino-3-hydroxy-1-oxobutan-2-yl)amino]-1-[[(2R)-1-[benzyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamate
CID 44312654
tert-butyl N-[4-[(1-amino-3-hydroxy-1-oxobutan-2-yl)amino]-1-[[1-[benzyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamate
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(2S)-3-[benzyl(methyl)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
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t-Butyl (4-((2,4-difluorobenzyl)amino)-1-hydroxy-4-oxobutan-2-yl)carbamate
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tert-butyl N-[1,1,1-trifluoro-4-hydroxy-5-oxo-5-[[(1R)-1-phenylbutyl]amino]pentan-3-yl]carbamate
CID 20639955
tert-butyl N-[1,1,1-trifluoro-4-hydroxy-5-oxo-5-[[(1R)-1-phenylpropyl]amino]pentan-3-yl]carbamate
CID 20639956
tert-butyl N-[1,1,1-trifluoro-4-hydroxy-5-[[(1S)-2-methyl-1-phenylpropyl]amino]-5-oxopentan-3-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-1-[(2R,3S)-1-benzyl-3-hydroxy-4-oxoazetidin-2-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-1-[(2R,3S)-1-benzyl-3-hydroxy-4-oxoazetidin-2-yl]ethyl]carbamate (CID 10064623) is tert-butyl N-[(1S)-1-[(2R,3S)-1-benzyl-3-hydroxy-4-oxoazetidin-2-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-1-[(2R,3S)-1-benzyl-3-hydroxy-4-oxoazetidin-2-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-1-[(2R,3S)-1-benzyl-3-hydroxy-4-oxoazetidin-2-yl]ethyl]carbamate is C[C@H](NC(=O)OC(C)(C)C)[C@@H]1[C@H](O)C(=O)N1Cc1ccccc1.
What is the InChIKey of tert-butyl N-[(1S)-1-[(2R,3S)-1-benzyl-3-hydroxy-4-oxoazetidin-2-yl]ethyl]carbamate?
The InChIKey is FTZUARPOCLVWKS-YUTCNCBUSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-11(18-16(22)23-17(2,3)4)13-14(20)15(21)19(13)10-12-8-6-5-7-9-12/h5-9,11,13-14,20H,10H2,1-4H3,(H,18,22)/t11-,13+,14-/m0/s1.
What are the key properties of tert-butyl N-[(1S)-1-[(2R,3S)-1-benzyl-3-hydroxy-4-oxoazetidin-2-yl]ethyl]carbamate?
tert-butyl N-[(1S)-1-[(2R,3S)-1-benzyl-3-hydroxy-4-oxoazetidin-2-yl]ethyl]carbamate has a molecular weight of 320.39 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-1-[(2R,3S)-1-benzyl-3-hydroxy-4-oxoazetidin-2-yl]ethyl]carbamate is sourced from PubChem (CID 10064623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).