benzyl 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-azaspiro[2.4]heptane-5-carboxylate

C21H33NO3Si — CID 171372709

IUPACbenzyl 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-azaspiro[2.4]heptane-5-carboxylate
SMILESCC(C)(C)[Si](C)(C)OCC1CC2(CC2)CN1C(=O)OCc1ccccc1
InChIInChI=1S/C21H33NO3Si/c1-20(2,3)26(4,5)25-15-18-13-21(11-12-21)16-22(18)19(23)24-14-17-9-7-6-8-10-17/h6-10,18H,11-16H2,1-5H3
InChIKeyJWTGNVUXLDDPBK-UHFFFAOYSA-N
MW375.59 g/mol
LogP5.20
Rot. Bonds5

About benzyl 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-azaspiro[2.4]heptane-5-carboxylate

benzyl 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-azaspiro[2.4]heptane-5-carboxylate (PubChem CID 171372709) has the molecular formula C21H33NO3Si and a molecular weight of 375.59 g/mol. Its IUPAC name is benzyl 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-azaspiro[2.4]heptane-5-carboxylate.

Molecular Properties

Compound Namebenzyl 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-azaspiro[2.4]heptane-5-carboxylate
PubChem CID171372709
Molecular FormulaC21H33NO3Si
Molecular Weight375.59 g/mol
Exact Mass375.22
IUPAC Namebenzyl 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-azaspiro[2.4]heptane-5-carboxylate
SMILESCC(C)(C)[Si](C)(C)OCC1CC2(CC2)CN1C(=O)OCc1ccccc1
InChIInChI=1S/C21H33NO3Si/c1-20(2,3)26(4,5)25-15-18-13-21(11-12-21)16-22(18)19(23)24-14-17-9-7-6-8-10-17/h6-10,18H,11-16H2,1-5H3
InChIKeyJWTGNVUXLDDPBK-UHFFFAOYSA-N
XLogP5.20
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.59
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzyl (4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-1,3-oxazolidine-3-carboxylate
CID 102150396
2-O-benzyl 8-O-tert-butyl (3S)-3-(hydroxymethyl)-2,8-diazaspiro[4.5]decane-2,8-dicarboxylate
CID 124518922
benzyl (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-hydroxy-7-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 11846416
benzyl (3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-cyanopiperazine-1-carboxylate
CID 140869942
7-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxy-6-azaspiro[3.5]nonane-6-carboxylic acid
CID 175972992
1-O-benzyl 3-O-methyl (3S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylpiperidine-1,3-dicarboxylate
CID 140831183
benzyl (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxopiperidine-1-carboxylate
CID 52915467
benzyl (2R,3R)-2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3-hydroxy-3-phenylazetidine-1-carboxylate
CID 11730152
benzyl 2-(methoxymethyl)-4,4-diphenylpyrrolidine-1-carboxylate
CID 46945317
benzyl (1S,4S,6S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-azabicyclo[4.1.0]heptane-3-carboxylate
CID 59396023
benzyl (3R,4S,7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-(phenylmethoxycarbonylamino)-2,3,4,7-tetrahydroazepine-1-carboxylate
CID 155622770
3-O-benzyl 1-O-ethyl (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxopyrrolidine-1,3-dicarboxylate
CID 10410733

Frequently Asked Questions

What is the IUPAC name of benzyl 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-azaspiro[2.4]heptane-5-carboxylate?
The IUPAC name of benzyl 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-azaspiro[2.4]heptane-5-carboxylate (CID 171372709) is benzyl 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-azaspiro[2.4]heptane-5-carboxylate.
What is the SMILES notation for benzyl 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-azaspiro[2.4]heptane-5-carboxylate?
The canonical SMILES for benzyl 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-azaspiro[2.4]heptane-5-carboxylate is CC(C)(C)[Si](C)(C)OCC1CC2(CC2)CN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-azaspiro[2.4]heptane-5-carboxylate?
The InChIKey is JWTGNVUXLDDPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33NO3Si/c1-20(2,3)26(4,5)25-15-18-13-21(11-12-21)16-22(18)19(23)24-14-17-9-7-6-8-10-17/h6-10,18H,11-16H2,1-5H3.
What are the key properties of benzyl 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-azaspiro[2.4]heptane-5-carboxylate?
benzyl 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-azaspiro[2.4]heptane-5-carboxylate has a molecular weight of 375.59 g/mol, XLogP of 5.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-azaspiro[2.4]heptane-5-carboxylate is sourced from PubChem (CID 171372709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).