methyl (2S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropanoate;2,2,2-trifluoroacetic acid

C12H24F3NO5Si — CID 170908001

IUPACmethyl (2S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropanoate;2,2,2-trifluoroacetic acid
SMILESCOC(=O)[C@@H](N)CO[Si](C)(C)C(C)(C)C.O=C(O)C(F)(F)F
InChIInChI=1S/C10H23NO3Si.C2HF3O2/c1-10(2,3)15(5,6)14-7-8(11)9(12)13-4;3-2(4,5)1(6)7/h8H,7,11H2,1-6H3;(H,6,7)/t8-;/m0./s1
InChIKeyLCQZURPURLTESI-QRPNPIFTSA-N
MW347.41 g/mol
LogP2.14
Rot. Bonds4

About methyl (2S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropanoate;2,2,2-trifluoroacetic acid

methyl (2S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropanoate;2,2,2-trifluoroacetic acid (PubChem CID 170908001) has the molecular formula C12H24F3NO5Si and a molecular weight of 347.41 g/mol. Its IUPAC name is methyl (2S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropanoate;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namemethyl (2S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropanoate;2,2,2-trifluoroacetic acid
PubChem CID170908001
Molecular FormulaC12H24F3NO5Si
Molecular Weight347.41 g/mol
Exact Mass347.14
IUPAC Namemethyl (2S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropanoate;2,2,2-trifluoroacetic acid
SMILESCOC(=O)[C@@H](N)CO[Si](C)(C)C(C)(C)C.O=C(O)C(F)(F)F
InChIInChI=1S/C10H23NO3Si.C2HF3O2/c1-10(2,3)15(5,6)14-7-8(11)9(12)13-4;3-2(4,5)1(6)7/h8H,7,11H2,1-6H3;(H,6,7)/t8-;/m0./s1
InChIKeyLCQZURPURLTESI-QRPNPIFTSA-N
XLogP2.14
TPSA98.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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
N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-yl]-2,2,2-trifluoroacetamide
CID 156694094
(2S)-2-amino-1-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]-4-methylpentan-1-one;2,2,2-trifluoroacetic acid
CID 11640276
methyl (2R,3R)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate
CID 134934318
methyl 2-amino-4,4,4-trifluorobutanoate;hydrochloride
CID 44717559
methyl (2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-dimethylpropanoylamino)oxypropanoate
CID 46939904
(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoic acid
CID 87766399
methyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropanoate
CID 140509933
methyl (2S)-2-aminooctanoate;2,2,2-trifluoroacetic acid
CID 25131812
dimethyl (2R,3S)-2-amino-3-methoxybutanedioate;2,2,2-trifluoroacetic acid
CID 11370186
methyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate
CID 11817464
methyl 2-methylpropanoate;2,2,2-trifluoroacetic acid
CID 174483171

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropanoate;2,2,2-trifluoroacetic acid?
The IUPAC name of methyl (2S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropanoate;2,2,2-trifluoroacetic acid (CID 170908001) is methyl (2S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropanoate;2,2,2-trifluoroacetic acid.
What is the SMILES notation for methyl (2S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropanoate;2,2,2-trifluoroacetic acid?
The canonical SMILES for methyl (2S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropanoate;2,2,2-trifluoroacetic acid is COC(=O)[C@@H](N)CO[Si](C)(C)C(C)(C)C.O=C(O)C(F)(F)F.
What is the InChIKey of methyl (2S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropanoate;2,2,2-trifluoroacetic acid?
The InChIKey is LCQZURPURLTESI-QRPNPIFTSA-N. The full InChI is InChI=1S/C10H23NO3Si.C2HF3O2/c1-10(2,3)15(5,6)14-7-8(11)9(12)13-4;3-2(4,5)1(6)7/h8H,7,11H2,1-6H3;(H,6,7)/t8-;/m0./s1.
What are the key properties of methyl (2S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropanoate;2,2,2-trifluoroacetic acid?
methyl (2S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropanoate;2,2,2-trifluoroacetic acid has a molecular weight of 347.41 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropanoate;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 170908001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).