ethyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methylaminomethyl)butanoate

C14H31NO3Si — CID 57178030

IUPACethyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methylaminomethyl)butanoate
SMILESCCOC(=O)[C@@H](CNC)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H31NO3Si/c1-9-17-13(16)12(10-15-6)11(2)18-19(7,8)14(3,4)5/h11-12,15H,9-10H2,1-8H3/t11-,12+/m1/s1
InChIKeyGXDZHXUFVZFQSH-NEPJUHHUSA-N
MW289.49 g/mol
LogP2.80
Rot. Bonds7

About ethyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methylaminomethyl)butanoate

ethyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methylaminomethyl)butanoate (PubChem CID 57178030) has the molecular formula C14H31NO3Si and a molecular weight of 289.49 g/mol. Its IUPAC name is ethyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methylaminomethyl)butanoate.

Molecular Properties

Compound Nameethyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methylaminomethyl)butanoate
PubChem CID57178030
Molecular FormulaC14H31NO3Si
Molecular Weight289.49 g/mol
Exact Mass289.21
IUPAC Nameethyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methylaminomethyl)butanoate
SMILESCCOC(=O)[C@@H](CNC)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H31NO3Si/c1-9-17-13(16)12(10-15-6)11(2)18-19(7,8)14(3,4)5/h11-12,15H,9-10H2,1-8H3/t11-,12+/m1/s1
InChIKeyGXDZHXUFVZFQSH-NEPJUHHUSA-N
XLogP2.80
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.49
LogP ≤ 52.80
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

ethyl 2-[2-[2-[tert-butyl(dimethyl)silyl]oxypropanoyloxy]propanoyloxy]propanoate
CID 10177567
tert-butyl (2R,3R)-2-[(benzylamino)methyl]-3-[tert-butyl(dimethyl)silyl]oxybutanoate
CID 10069177
diethyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enylbutanedioate
CID 11782898
1-[tert-butyl(dimethyl)silyl]oxyethylcarbamic acid
CID 175475346
methyl (2R,3S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxybutanoate
CID 10879449
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethoxybutanoic acid
CID 87165682
(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,5-bis(methylamino)pentanoic acid
CID 59831403
ethyl 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-phenylpropanoate
CID 132548533
ethyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 174136590
tert-butyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutanoate
CID 24741474
2-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoic acid
CID 14412199
methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhexanoate
CID 101115916

Frequently Asked Questions

What is the IUPAC name of ethyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methylaminomethyl)butanoate?
The IUPAC name of ethyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methylaminomethyl)butanoate (CID 57178030) is ethyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methylaminomethyl)butanoate.
What is the SMILES notation for ethyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methylaminomethyl)butanoate?
The canonical SMILES for ethyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methylaminomethyl)butanoate is CCOC(=O)[C@@H](CNC)[C@@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methylaminomethyl)butanoate?
The InChIKey is GXDZHXUFVZFQSH-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H31NO3Si/c1-9-17-13(16)12(10-15-6)11(2)18-19(7,8)14(3,4)5/h11-12,15H,9-10H2,1-8H3/t11-,12+/m1/s1.
What are the key properties of ethyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methylaminomethyl)butanoate?
ethyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methylaminomethyl)butanoate has a molecular weight of 289.49 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methylaminomethyl)butanoate is sourced from PubChem (CID 57178030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).