(2S)-2-[(2R,3S)-1-benzyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanal

C21H33NO3Si — CID 15867575

IUPAC(2S)-2-[(2R,3S)-1-benzyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanal
SMILESC[C@H](C=O)[C@@H]1[C@@H]([C@@H](C)O[Si](C)(C)C(C)(C)C)C(=O)N1Cc1ccccc1
InChIInChI=1S/C21H33NO3Si/c1-15(14-23)19-18(16(2)25-26(6,7)21(3,4)5)20(24)22(19)13-17-11-9-8-10-12-17/h8-12,14-16,18-19H,13H2,1-7H3/t15-,16-,18-,19-/m1/s1
InChIKeyCNLLLVXOLPAEES-PSBWJHGTSA-N
MW375.59 g/mol
LogP4.26
Rot. Bonds7

About (2S)-2-[(2R,3S)-1-benzyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanal

(2S)-2-[(2R,3S)-1-benzyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanal (PubChem CID 15867575) has the molecular formula C21H33NO3Si and a molecular weight of 375.59 g/mol. Its IUPAC name is (2S)-2-[(2R,3S)-1-benzyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanal.

Molecular Properties

Compound Name(2S)-2-[(2R,3S)-1-benzyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanal
PubChem CID15867575
Molecular FormulaC21H33NO3Si
Molecular Weight375.59 g/mol
Exact Mass375.22
IUPAC Name(2S)-2-[(2R,3S)-1-benzyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanal
SMILESC[C@H](C=O)[C@@H]1[C@@H]([C@@H](C)O[Si](C)(C)C(C)(C)C)C(=O)N1Cc1ccccc1
InChIInChI=1S/C21H33NO3Si/c1-15(14-23)19-18(16(2)25-26(6,7)21(3,4)5)20(24)22(19)13-17-11-9-8-10-12-17/h8-12,14-16,18-19H,13H2,1-7H3/t15-,16-,18-,19-/m1/s1
InChIKeyCNLLLVXOLPAEES-PSBWJHGTSA-N
XLogP4.26
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.59
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(3R,4S)-1-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(trifluoromethyl)azetidin-2-one
CID 135070890
(3S,4S)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]azetidin-2-one
CID 102015004
(3S,4R)-1-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylazetidin-2-one
CID 59089983
(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-phenylazetidin-2-one
CID 10913780
(3R,4R)-1-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylazetidin-2-one
CID 15352612
(3S,4R)-1-benzyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethenylazetidin-2-one
CID 15867560
(2R)-2-[(2R,3S)-1-benzyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanal
CID 15867574
(3S,4R)-1-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethylazetidin-2-one
CID 15895934
(3R,4R)-1-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethylazetidin-2-one
CID 102015000
(4S)-1-benzyl-4-[(1S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]azetidin-2-one
CID 134920465
(3S)-1-benzyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoroazetidin-2-one
CID 11325211
1-Benzyl-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoroazetidin-2-one
CID 72801991

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2R,3S)-1-benzyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanal?
The IUPAC name of (2S)-2-[(2R,3S)-1-benzyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanal (CID 15867575) is (2S)-2-[(2R,3S)-1-benzyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanal.
What is the SMILES notation for (2S)-2-[(2R,3S)-1-benzyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanal?
The canonical SMILES for (2S)-2-[(2R,3S)-1-benzyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanal is C[C@H](C=O)[C@@H]1[C@@H]([C@@H](C)O[Si](C)(C)C(C)(C)C)C(=O)N1Cc1ccccc1.
What is the InChIKey of (2S)-2-[(2R,3S)-1-benzyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanal?
The InChIKey is CNLLLVXOLPAEES-PSBWJHGTSA-N. The full InChI is InChI=1S/C21H33NO3Si/c1-15(14-23)19-18(16(2)25-26(6,7)21(3,4)5)20(24)22(19)13-17-11-9-8-10-12-17/h8-12,14-16,18-19H,13H2,1-7H3/t15-,16-,18-,19-/m1/s1.
What are the key properties of (2S)-2-[(2R,3S)-1-benzyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanal?
(2S)-2-[(2R,3S)-1-benzyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanal has a molecular weight of 375.59 g/mol, XLogP of 4.26, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2R,3S)-1-benzyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanal is sourced from PubChem (CID 15867575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).