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

C21H32N2O4Si — CID 10597384

IUPAC(2S,5S)-7-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-oxa-7,10-diazaspiro[4.5]decane-6,9-dione
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CC[C@]2(NC(=O)CN(Cc3ccccc3)C2=O)O1
InChIInChI=1S/C21H32N2O4Si/c1-20(2,3)28(4,5)26-15-17-11-12-21(27-17)19(25)23(14-18(24)22-21)13-16-9-7-6-8-10-16/h6-10,17H,11-15H2,1-5H3,(H,22,24)/t17-,21-/m0/s1
InChIKeyBPNVJKZJHAYJAW-UWJYYQICSA-N
MW404.58 g/mol
LogP3.04
Rot. Bonds5

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

(2S,5S)-7-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-oxa-7,10-diazaspiro[4.5]decane-6,9-dione (PubChem CID 10597384) has the molecular formula C21H32N2O4Si and a molecular weight of 404.58 g/mol. Its IUPAC name is (2S,5S)-7-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-oxa-7,10-diazaspiro[4.5]decane-6,9-dione.

Molecular Properties

Compound Name(2S,5S)-7-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-oxa-7,10-diazaspiro[4.5]decane-6,9-dione
PubChem CID10597384
Molecular FormulaC21H32N2O4Si
Molecular Weight404.58 g/mol
Exact Mass404.21
IUPAC Name(2S,5S)-7-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-oxa-7,10-diazaspiro[4.5]decane-6,9-dione
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CC[C@]2(NC(=O)CN(Cc3ccccc3)C2=O)O1
InChIInChI=1S/C21H32N2O4Si/c1-20(2,3)28(4,5)26-15-17-11-12-21(27-17)19(25)23(14-18(24)22-21)13-16-9-7-6-8-10-16/h6-10,17H,11-15H2,1-5H3,(H,22,24)/t17-,21-/m0/s1
InChIKeyBPNVJKZJHAYJAW-UWJYYQICSA-N
XLogP3.04
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.58
LogP ≤ 53.04
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

tert-butyl N-[[5-[(2R)-4-benzyl-2-methylpiperazine-1-carbonyl]oxolan-2-yl]methyl]carbamate
CID 71909541
(2S,5R)-7-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-oxa-7,10-diazaspiro[4.5]decane-6,9-dione
CID 10621264
(6R,9S)-4-benzyl-9-[tert-butyl(dimethyl)silyl]oxy-7-oxa-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 10621265
(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
(2S,5S)-7-benzyl-2-(hydroxymethyl)-1-oxa-7,10-diazaspiro[4.5]decane-6,9-dione
CID 10779850
(2S,5S)-9-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,6-dioxa-9-azaspiro[4.5]decane-7,10-dione
CID 11795589
9-Benzyl-1-oxa-6,9-diazaspiro[4.5]decane-7,10-dione
CID 12728438
9-Benzyl-1-oxa-6,9-diazaspiro[4.5]decane-7,8,10-trione
CID 13157610
tert-butyl N-[[(2R,5S)-5-[(2R)-4-benzyl-2-methylpiperazine-1-carbonyl]oxolan-2-yl]methyl]carbamate
CID 97064952
tert-butyl N-[[(2R,5R)-5-[(2R)-4-benzyl-2-methylpiperazine-1-carbonyl]oxolan-2-yl]methyl]carbamate
CID 97064953
tert-butyl N-[[(2S,5R)-5-[(2R)-4-benzyl-2-methylpiperazine-1-carbonyl]oxolan-2-yl]methyl]carbamate
CID 98794484

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-7-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-oxa-7,10-diazaspiro[4.5]decane-6,9-dione?
The IUPAC name of (2S,5S)-7-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-oxa-7,10-diazaspiro[4.5]decane-6,9-dione (CID 10597384) is (2S,5S)-7-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-oxa-7,10-diazaspiro[4.5]decane-6,9-dione.
What is the SMILES notation for (2S,5S)-7-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-oxa-7,10-diazaspiro[4.5]decane-6,9-dione?
The canonical SMILES for (2S,5S)-7-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-oxa-7,10-diazaspiro[4.5]decane-6,9-dione is CC(C)(C)[Si](C)(C)OC[C@@H]1CC[C@]2(NC(=O)CN(Cc3ccccc3)C2=O)O1.
What is the InChIKey of (2S,5S)-7-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-oxa-7,10-diazaspiro[4.5]decane-6,9-dione?
The InChIKey is BPNVJKZJHAYJAW-UWJYYQICSA-N. The full InChI is InChI=1S/C21H32N2O4Si/c1-20(2,3)28(4,5)26-15-17-11-12-21(27-17)19(25)23(14-18(24)22-21)13-16-9-7-6-8-10-16/h6-10,17H,11-15H2,1-5H3,(H,22,24)/t17-,21-/m0/s1.
What are the key properties of (2S,5S)-7-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-oxa-7,10-diazaspiro[4.5]decane-6,9-dione?
(2S,5S)-7-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-oxa-7,10-diazaspiro[4.5]decane-6,9-dione has a molecular weight of 404.58 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-7-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-oxa-7,10-diazaspiro[4.5]decane-6,9-dione is sourced from PubChem (CID 10597384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).