benzyl 4-[1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-3-hydroxybutanoate

C20H31NO4Si — CID 12804719

IUPACbenzyl 4-[1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-3-hydroxybutanoate
SMILESCC(C)(C)[Si](C)(C)N1C(=O)CC1CC(O)CC(=O)OCc1ccccc1
InChIInChI=1S/C20H31NO4Si/c1-20(2,3)26(4,5)21-16(12-18(21)23)11-17(22)13-19(24)25-14-15-9-7-6-8-10-15/h6-10,16-17,22H,11-14H2,1-5H3
InChIKeyXOFNCAPZHFQTCP-UHFFFAOYSA-N
MW377.56 g/mol
LogP3.48
Rot. Bonds7

About benzyl 4-[1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-3-hydroxybutanoate

benzyl 4-[1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-3-hydroxybutanoate (PubChem CID 12804719) has the molecular formula C20H31NO4Si and a molecular weight of 377.56 g/mol. Its IUPAC name is benzyl 4-[1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-3-hydroxybutanoate.

Molecular Properties

Compound Namebenzyl 4-[1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-3-hydroxybutanoate
PubChem CID12804719
Molecular FormulaC20H31NO4Si
Molecular Weight377.56 g/mol
Exact Mass377.20
IUPAC Namebenzyl 4-[1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-3-hydroxybutanoate
SMILESCC(C)(C)[Si](C)(C)N1C(=O)CC1CC(O)CC(=O)OCc1ccccc1
InChIInChI=1S/C20H31NO4Si/c1-20(2,3)26(4,5)21-16(12-18(21)23)11-17(22)13-19(24)25-14-15-9-7-6-8-10-15/h6-10,16-17,22H,11-14H2,1-5H3
InChIKeyXOFNCAPZHFQTCP-UHFFFAOYSA-N
XLogP3.48
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.56
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzyl (E)-4-[(2R)-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]but-2-enoate
CID 70489460
dibenzyl 3-hydroxypentanedioate
CID 23067924
benzyl 2-[(3S)-2-[tert-butyl(dimethyl)silyl]-1,1-dioxothiazetidin-3-yl]acetate
CID 12992568
N-[1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-N-phenylmethoxybenzamide
CID 127030399
benzyl (3S)-3-hydroxypentanoate
CID 131888436
benzyl 3-hydroxy-6-methylheptanoate
CID 10824589
benzyl (3R)-3-hydroxy-4,4-dimethylpentanoate
CID 11207095
benzyl (3R)-3-hydroxypentanoate;(2R)-2-ethyloxirane
CID 160696526
benzyl (3S)-3-hydroxy-4-iodobutanoate
CID 141383143
benzyl (3S)-4-bromo-3-hydroxybutanoate
CID 141383144
benzyl (1S,4Z,5R)-6-[tert-butyl(dimethyl)silyl]-4-(2-methoxy-2-oxoethylidene)-7-oxo-2,6-diazabicyclo[3.2.0]heptane-2-carboxylate
CID 70018383
benzyl N-[(2S,3R)-1-[tert-butyl(dimethyl)silyl]-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]carbamate
CID 15339572

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-3-hydroxybutanoate?
The IUPAC name of benzyl 4-[1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-3-hydroxybutanoate (CID 12804719) is benzyl 4-[1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-3-hydroxybutanoate.
What is the SMILES notation for benzyl 4-[1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-3-hydroxybutanoate?
The canonical SMILES for benzyl 4-[1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-3-hydroxybutanoate is CC(C)(C)[Si](C)(C)N1C(=O)CC1CC(O)CC(=O)OCc1ccccc1.
What is the InChIKey of benzyl 4-[1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-3-hydroxybutanoate?
The InChIKey is XOFNCAPZHFQTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO4Si/c1-20(2,3)26(4,5)21-16(12-18(21)23)11-17(22)13-19(24)25-14-15-9-7-6-8-10-15/h6-10,16-17,22H,11-14H2,1-5H3.
What are the key properties of benzyl 4-[1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-3-hydroxybutanoate?
benzyl 4-[1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-3-hydroxybutanoate has a molecular weight of 377.56 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-3-hydroxybutanoate is sourced from PubChem (CID 12804719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).