(3S,5R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-cyclopropylmorpholin-2-one

C24H31NO3Si — CID 59389183

IUPAC(3S,5R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-cyclopropylmorpholin-2-one
SMILESCC(C)(C)[Si](OC[C@@H]1N[C@H](C2CC2)COC1=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H31NO3Si/c1-24(2,3)29(19-10-6-4-7-11-19,20-12-8-5-9-13-20)28-17-22-23(26)27-16-21(25-22)18-14-15-18/h4-13,18,21-22,25H,14-17H2,1-3H3/t21-,22-/m0/s1
InChIKeyHMUWDPZYHNACOU-VXKWHMMOSA-N
MW409.60 g/mol
LogP2.86
Rot. Bonds6

About (3S,5R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-cyclopropylmorpholin-2-one

(3S,5R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-cyclopropylmorpholin-2-one (PubChem CID 59389183) has the molecular formula C24H31NO3Si and a molecular weight of 409.60 g/mol. Its IUPAC name is (3S,5R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-cyclopropylmorpholin-2-one.

Molecular Properties

Compound Name(3S,5R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-cyclopropylmorpholin-2-one
PubChem CID59389183
Molecular FormulaC24H31NO3Si
Molecular Weight409.60 g/mol
Exact Mass409.21
IUPAC Name(3S,5R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-cyclopropylmorpholin-2-one
SMILESCC(C)(C)[Si](OC[C@@H]1N[C@H](C2CC2)COC1=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H31NO3Si/c1-24(2,3)29(19-10-6-4-7-11-19,20-12-8-5-9-13-20)28-17-22-23(26)27-16-21(25-22)18-14-15-18/h4-13,18,21-22,25H,14-17H2,1-3H3/t21-,22-/m0/s1
InChIKeyHMUWDPZYHNACOU-VXKWHMMOSA-N
XLogP2.86
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.60
LogP ≤ 52.86
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

(2S,3S)-tert-butyl 3-((tert-butyldiphenylsilyl)oxy)-2-(methylamino)pent-4-enoate
CID 24773749
(5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]morpholin-2-one
CID 134972742
(3S,5R)-3-[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-5-cyclopropylmorpholin-2-one
CID 59389141
(3S,5R)-5-cyclopropyl-3-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]morpholin-2-one
CID 67568405
rac-ethyl (3R,4S)-3-((tert-butyldiphenylsilyl)oxy)piperidine-4-carboxylate
CID 90040658
Ethyl 3-[tert-butyl(diphenyl)silyl]oxypiperidine-4-carboxylate
CID 90040660
ethyl (3S,4R)-3-((tert-butyldiphenylsilyl)oxy)piperidine-4-carboxylate
CID 90040663
methyl (2S,3R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(methylamino)butanoate
CID 177394934

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-cyclopropylmorpholin-2-one?
The IUPAC name of (3S,5R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-cyclopropylmorpholin-2-one (CID 59389183) is (3S,5R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-cyclopropylmorpholin-2-one.
What is the SMILES notation for (3S,5R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-cyclopropylmorpholin-2-one?
The canonical SMILES for (3S,5R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-cyclopropylmorpholin-2-one is CC(C)(C)[Si](OC[C@@H]1N[C@H](C2CC2)COC1=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3S,5R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-cyclopropylmorpholin-2-one?
The InChIKey is HMUWDPZYHNACOU-VXKWHMMOSA-N. The full InChI is InChI=1S/C24H31NO3Si/c1-24(2,3)29(19-10-6-4-7-11-19,20-12-8-5-9-13-20)28-17-22-23(26)27-16-21(25-22)18-14-15-18/h4-13,18,21-22,25H,14-17H2,1-3H3/t21-,22-/m0/s1.
What are the key properties of (3S,5R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-cyclopropylmorpholin-2-one?
(3S,5R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-cyclopropylmorpholin-2-one has a molecular weight of 409.60 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-cyclopropylmorpholin-2-one is sourced from PubChem (CID 59389183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).