(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-oxa-7-azaspiro[3.4]octane-7-carboxylic acid

C14H27NO4Si — CID 174056792

IUPAC(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-oxa-7-azaspiro[3.4]octane-7-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CC2(CCO2)CN1C(=O)O
InChIInChI=1S/C14H27NO4Si/c1-13(2,3)20(4,5)19-9-11-8-14(6-7-18-14)10-15(11)12(16)17/h11H,6-10H2,1-5H3,(H,16,17)/t11-,14?/m0/s1
InChIKeyLISLGSPLHLZJII-ZSOXZCCMSA-N
MW301.46 g/mol
LogP2.92
Rot. Bonds3

About (6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-oxa-7-azaspiro[3.4]octane-7-carboxylic acid

(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-oxa-7-azaspiro[3.4]octane-7-carboxylic acid (PubChem CID 174056792) has the molecular formula C14H27NO4Si and a molecular weight of 301.46 g/mol. Its IUPAC name is (6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-oxa-7-azaspiro[3.4]octane-7-carboxylic acid.

Molecular Properties

Compound Name(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-oxa-7-azaspiro[3.4]octane-7-carboxylic acid
PubChem CID174056792
Molecular FormulaC14H27NO4Si
Molecular Weight301.46 g/mol
Exact Mass301.17
IUPAC Name(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-oxa-7-azaspiro[3.4]octane-7-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CC2(CCO2)CN1C(=O)O
InChIInChI=1S/C14H27NO4Si/c1-13(2,3)20(4,5)19-9-11-8-14(6-7-18-14)10-15(11)12(16)17/h11H,6-10H2,1-5H3,(H,16,17)/t11-,14?/m0/s1
InChIKeyLISLGSPLHLZJII-ZSOXZCCMSA-N
XLogP2.92
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-oxa-7-azaspiro[3.4]octane-7-carboxylic acid with MolForge

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Related Compounds

benzyl 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-azaspiro[2.4]heptane-5-carboxylate
CID 171372709
(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridine-1,4-dicarboxylic acid
CID 69348864
7-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxy-6-azaspiro[3.5]nonane-6-carboxylic acid
CID 175972992
(2R,4R)-4-amino-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-difluoropyrrolidine-1-carboxylic acid
CID 174233839
(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-chloroacetyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 87828403
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(spiro[2.5]oct-6-en-6-ylmethylidene)pyrrolidine-1-carboxylic acid
CID 174223740
(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethoxycarbonyl-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 91568304
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethoxycarbonyl-4-oxopiperidine-1-carboxylic acid
CID 66590923
(6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-[(2S,4R)-4-fluoropyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octane-4-carboxylic acid
CID 89451748
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyl-5-oxo-2,6-dihydropyridine-1-carboxylic acid
CID 161325711
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-5-oxo-2,6-dihydropyridine-1-carboxylic acid
CID 162091438
(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyl-1-propanoylpyrrolidin-2-one
CID 101180860

Frequently Asked Questions

What is the IUPAC name of (6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-oxa-7-azaspiro[3.4]octane-7-carboxylic acid?
The IUPAC name of (6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-oxa-7-azaspiro[3.4]octane-7-carboxylic acid (CID 174056792) is (6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-oxa-7-azaspiro[3.4]octane-7-carboxylic acid.
What is the SMILES notation for (6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-oxa-7-azaspiro[3.4]octane-7-carboxylic acid?
The canonical SMILES for (6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-oxa-7-azaspiro[3.4]octane-7-carboxylic acid is CC(C)(C)[Si](C)(C)OC[C@@H]1CC2(CCO2)CN1C(=O)O.
What is the InChIKey of (6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-oxa-7-azaspiro[3.4]octane-7-carboxylic acid?
The InChIKey is LISLGSPLHLZJII-ZSOXZCCMSA-N. The full InChI is InChI=1S/C14H27NO4Si/c1-13(2,3)20(4,5)19-9-11-8-14(6-7-18-14)10-15(11)12(16)17/h11H,6-10H2,1-5H3,(H,16,17)/t11-,14?/m0/s1.
What are the key properties of (6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-oxa-7-azaspiro[3.4]octane-7-carboxylic acid?
(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-oxa-7-azaspiro[3.4]octane-7-carboxylic acid has a molecular weight of 301.46 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-oxa-7-azaspiro[3.4]octane-7-carboxylic acid is sourced from PubChem (CID 174056792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).