(2S,5S)-9-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,6-dioxa-9-azaspiro[4.5]decane-7,10-dione

C21H31NO5Si — CID 11795589

IUPAC(2S,5S)-9-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,6-dioxa-9-azaspiro[4.5]decane-7,10-dione
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CC[C@@]2(OC(=O)CN(Cc3ccccc3)C2=O)O1
InChIInChI=1S/C21H31NO5Si/c1-20(2,3)28(4,5)25-15-17-11-12-21(26-17)19(24)22(14-18(23)27-21)13-16-9-7-6-8-10-16/h6-10,17H,11-15H2,1-5H3/t17-,21-/m0/s1
InChIKeyCSVDIEKQLKLKQQ-UWJYYQICSA-N
MW405.57 g/mol
LogP3.47
Rot. Bonds5

About (2S,5S)-9-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,6-dioxa-9-azaspiro[4.5]decane-7,10-dione

(2S,5S)-9-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,6-dioxa-9-azaspiro[4.5]decane-7,10-dione (PubChem CID 11795589) has the molecular formula C21H31NO5Si and a molecular weight of 405.57 g/mol. Its IUPAC name is (2S,5S)-9-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,6-dioxa-9-azaspiro[4.5]decane-7,10-dione.

Molecular Properties

Compound Name(2S,5S)-9-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,6-dioxa-9-azaspiro[4.5]decane-7,10-dione
PubChem CID11795589
Molecular FormulaC21H31NO5Si
Molecular Weight405.57 g/mol
Exact Mass405.20
IUPAC Name(2S,5S)-9-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,6-dioxa-9-azaspiro[4.5]decane-7,10-dione
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CC[C@@]2(OC(=O)CN(Cc3ccccc3)C2=O)O1
InChIInChI=1S/C21H31NO5Si/c1-20(2,3)28(4,5)25-15-17-11-12-21(26-17)19(24)22(14-18(23)27-21)13-16-9-7-6-8-10-16/h6-10,17H,11-15H2,1-5H3/t17-,21-/m0/s1
InChIKeyCSVDIEKQLKLKQQ-UWJYYQICSA-N
XLogP3.47
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.57
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S,5S)-7-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-oxa-7,10-diazaspiro[4.5]decane-6,9-dione
CID 10597384
(2S,5R)-7-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-oxa-7,10-diazaspiro[4.5]decane-6,9-dione
CID 10621264
(2S,5R)-9-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,6-dioxa-9-azaspiro[4.5]decane-7,10-dione
CID 10644994
(5S)-N-(2-amino-2-oxoethyl)-N-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxyoxolane-2-carboxamide
CID 10669941
tert-butyl N-benzyl-N-[(2R,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-formyl-2-methoxyoxan-4-yl]carbamate
CID 11049102
[(3S,5S)-1-benzyl-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxopyrrolidin-3-yl] acetate
CID 11244498
methyl (2R,4R,5S)-4-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[tert-butyl(dimethyl)silyl]oxy-2-methoxyoxane-2-carboxylate
CID 11813212
5-[Benzyl(propyl)carbamoyl]oxolane-2-carboxylic acid
CID 102687761
(2R,5S)-5-[benzyl(propyl)carbamoyl]oxolane-2-carboxylic acid
CID 102944500
(2R,5S)-5-[benzyl(2-methoxyethyl)carbamoyl]oxolane-2-carboxylic acid
CID 121775586

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-9-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,6-dioxa-9-azaspiro[4.5]decane-7,10-dione?
The IUPAC name of (2S,5S)-9-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,6-dioxa-9-azaspiro[4.5]decane-7,10-dione (CID 11795589) is (2S,5S)-9-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,6-dioxa-9-azaspiro[4.5]decane-7,10-dione.
What is the SMILES notation for (2S,5S)-9-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,6-dioxa-9-azaspiro[4.5]decane-7,10-dione?
The canonical SMILES for (2S,5S)-9-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,6-dioxa-9-azaspiro[4.5]decane-7,10-dione is CC(C)(C)[Si](C)(C)OC[C@@H]1CC[C@@]2(OC(=O)CN(Cc3ccccc3)C2=O)O1.
What is the InChIKey of (2S,5S)-9-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,6-dioxa-9-azaspiro[4.5]decane-7,10-dione?
The InChIKey is CSVDIEKQLKLKQQ-UWJYYQICSA-N. The full InChI is InChI=1S/C21H31NO5Si/c1-20(2,3)28(4,5)25-15-17-11-12-21(26-17)19(24)22(14-18(23)27-21)13-16-9-7-6-8-10-16/h6-10,17H,11-15H2,1-5H3/t17-,21-/m0/s1.
What are the key properties of (2S,5S)-9-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,6-dioxa-9-azaspiro[4.5]decane-7,10-dione?
(2S,5S)-9-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,6-dioxa-9-azaspiro[4.5]decane-7,10-dione has a molecular weight of 405.57 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-9-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,6-dioxa-9-azaspiro[4.5]decane-7,10-dione is sourced from PubChem (CID 11795589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).