(4S)-3-[2-[(2R,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

C20H36N2O5Si — CID 69172035

IUPAC(4S)-3-[2-[(2R,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C(=O)N1C(=O)OC[C@@H]1C(C)C)[C@H]1NC(=O)[C@@H]1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H36N2O5Si/c1-12(2)15-11-26-19(25)22(15)18(24)13(3)16-14(17(23)21-16)9-10-27-28(7,8)20(4,5)6/h12-16H,9-11H2,1-8H3,(H,21,23)/t13?,14-,15-,16-/m1/s1
InChIKeyPPRYFHJJRPQJRK-VZMGZUMBSA-N
MW412.60 g/mol
LogP3.15
Rot. Bonds7

About (4S)-3-[2-[(2R,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[2-[(2R,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 69172035) has the molecular formula C20H36N2O5Si and a molecular weight of 412.60 g/mol. Its IUPAC name is (4S)-3-[2-[(2R,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[2-[(2R,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID69172035
Molecular FormulaC20H36N2O5Si
Molecular Weight412.60 g/mol
Exact Mass412.24
IUPAC Name(4S)-3-[2-[(2R,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C(=O)N1C(=O)OC[C@@H]1C(C)C)[C@H]1NC(=O)[C@@H]1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H36N2O5Si/c1-12(2)15-11-26-19(25)22(15)18(24)13(3)16-14(17(23)21-16)9-10-27-28(7,8)20(4,5)6/h12-16H,9-11H2,1-8H3,(H,21,23)/t13?,14-,15-,16-/m1/s1
InChIKeyPPRYFHJJRPQJRK-VZMGZUMBSA-N
XLogP3.15
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.60
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[2-[(2R,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[2-[(2R,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 69172035) is (4S)-3-[2-[(2R,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[2-[(2R,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[2-[(2R,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C(=O)N1C(=O)OC[C@@H]1C(C)C)[C@H]1NC(=O)[C@@H]1CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4S)-3-[2-[(2R,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is PPRYFHJJRPQJRK-VZMGZUMBSA-N. The full InChI is InChI=1S/C20H36N2O5Si/c1-12(2)15-11-26-19(25)22(15)18(24)13(3)16-14(17(23)21-16)9-10-27-28(7,8)20(4,5)6/h12-16H,9-11H2,1-8H3,(H,21,23)/t13?,14-,15-,16-/m1/s1.
What are the key properties of (4S)-3-[2-[(2R,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[2-[(2R,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 412.60 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[2-[(2R,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 69172035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).