tert-butyl 2-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-ylamino]acetate

C15H33NO3Si — CID 87652886

IUPACtert-butyl 2-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-ylamino]acetate
SMILESCC(CO[Si](C)(C)C(C)(C)C)NCC(=O)OC(C)(C)C
InChIInChI=1S/C15H33NO3Si/c1-12(11-18-20(8,9)15(5,6)7)16-10-13(17)19-14(2,3)4/h12,16H,10-11H2,1-9H3
InChIKeyJYGPCYNPPSXPGE-UHFFFAOYSA-N
MW303.52 g/mol
LogP3.33
Rot. Bonds6

About tert-butyl 2-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-ylamino]acetate

tert-butyl 2-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-ylamino]acetate (PubChem CID 87652886) has the molecular formula C15H33NO3Si and a molecular weight of 303.52 g/mol. Its IUPAC name is tert-butyl 2-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-ylamino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-ylamino]acetate
PubChem CID87652886
Molecular FormulaC15H33NO3Si
Molecular Weight303.52 g/mol
Exact Mass303.22
IUPAC Nametert-butyl 2-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-ylamino]acetate
SMILESCC(CO[Si](C)(C)C(C)(C)C)NCC(=O)OC(C)(C)C
InChIInChI=1S/C15H33NO3Si/c1-12(11-18-20(8,9)15(5,6)7)16-10-13(17)19-14(2,3)4/h12,16H,10-11H2,1-9H3
InChIKeyJYGPCYNPPSXPGE-UHFFFAOYSA-N
XLogP3.33
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.52
LogP ≤ 53.33
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 (2R)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropanoate
CID 132916594
methyl (3R)-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate
CID 54023912
tert-butyl 2-[[2-[tert-butyl(dimethyl)silyl]oxy-1-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]ethyl]amino]acetate
CID 87091096
(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoic acid
CID 87766399
tert-butyl 2-(heptan-2-ylamino)acetate
CID 60680829
tert-butyl 3-[tert-butyl(dimethyl)silyl]oxypropanoate
CID 175251945
methyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate
CID 11817464
ethyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoate
CID 61498958
S-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl] ethanethioate
CID 154025289
tert-butyl N-[(2S,3R)-3-amino-1-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]carbamate
CID 58901310
1-[tert-butyl(dimethyl)silyl]oxy-2-methylpentan-3-one
CID 72819705
S-methyl N-[[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoyl]amino]carbamothioate
CID 88910598

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-ylamino]acetate?
The IUPAC name of tert-butyl 2-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-ylamino]acetate (CID 87652886) is tert-butyl 2-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-ylamino]acetate.
What is the SMILES notation for tert-butyl 2-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-ylamino]acetate?
The canonical SMILES for tert-butyl 2-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-ylamino]acetate is CC(CO[Si](C)(C)C(C)(C)C)NCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-ylamino]acetate?
The InChIKey is JYGPCYNPPSXPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO3Si/c1-12(11-18-20(8,9)15(5,6)7)16-10-13(17)19-14(2,3)4/h12,16H,10-11H2,1-9H3.
What are the key properties of tert-butyl 2-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-ylamino]acetate?
tert-butyl 2-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-ylamino]acetate has a molecular weight of 303.52 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-ylamino]acetate is sourced from PubChem (CID 87652886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).