ethyl (3R)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-2,2-difluoro-3-hydroxypropanoate

C14H25F2NO4Si — CID 10315022

IUPACethyl (3R)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-2,2-difluoro-3-hydroxypropanoate
SMILESCCOC(=O)C(F)(F)[C@H](O)[C@@H]1CC(=O)N1[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H25F2NO4Si/c1-7-21-12(20)14(15,16)11(19)9-8-10(18)17(9)22(5,6)13(2,3)4/h9,11,19H,7-8H2,1-6H3/t9-,11+/m0/s1
InChIKeyCSUVJCVUQHCCQZ-GXSJLCMTSA-N
MW337.44 g/mol
LogP2.15
Rot. Bonds5

About ethyl (3R)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-2,2-difluoro-3-hydroxypropanoate

ethyl (3R)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-2,2-difluoro-3-hydroxypropanoate (PubChem CID 10315022) has the molecular formula C14H25F2NO4Si and a molecular weight of 337.44 g/mol. Its IUPAC name is ethyl (3R)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-2,2-difluoro-3-hydroxypropanoate.

Molecular Properties

Compound Nameethyl (3R)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-2,2-difluoro-3-hydroxypropanoate
PubChem CID10315022
Molecular FormulaC14H25F2NO4Si
Molecular Weight337.44 g/mol
Exact Mass337.15
IUPAC Nameethyl (3R)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-2,2-difluoro-3-hydroxypropanoate
SMILESCCOC(=O)C(F)(F)[C@H](O)[C@@H]1CC(=O)N1[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H25F2NO4Si/c1-7-21-12(20)14(15,16)11(19)9-8-10(18)17(9)22(5,6)13(2,3)4/h9,11,19H,7-8H2,1-6H3/t9-,11+/m0/s1
InChIKeyCSUVJCVUQHCCQZ-GXSJLCMTSA-N
XLogP2.15
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 ethyl (3R)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-2,2-difluoro-3-hydroxypropanoate?
The IUPAC name of ethyl (3R)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-2,2-difluoro-3-hydroxypropanoate (CID 10315022) is ethyl (3R)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-2,2-difluoro-3-hydroxypropanoate.
What is the SMILES notation for ethyl (3R)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-2,2-difluoro-3-hydroxypropanoate?
The canonical SMILES for ethyl (3R)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-2,2-difluoro-3-hydroxypropanoate is CCOC(=O)C(F)(F)[C@H](O)[C@@H]1CC(=O)N1[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (3R)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-2,2-difluoro-3-hydroxypropanoate?
The InChIKey is CSUVJCVUQHCCQZ-GXSJLCMTSA-N. The full InChI is InChI=1S/C14H25F2NO4Si/c1-7-21-12(20)14(15,16)11(19)9-8-10(18)17(9)22(5,6)13(2,3)4/h9,11,19H,7-8H2,1-6H3/t9-,11+/m0/s1.
What are the key properties of ethyl (3R)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-2,2-difluoro-3-hydroxypropanoate?
ethyl (3R)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-2,2-difluoro-3-hydroxypropanoate has a molecular weight of 337.44 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-2,2-difluoro-3-hydroxypropanoate is sourced from PubChem (CID 10315022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).