methyl (3R,4S)-3-amino-4-[tert-butyl(dimethyl)silyl]oxy-5-fluoropentanoate

C12H26FNO3Si — CID 59806230

IUPACmethyl (3R,4S)-3-amino-4-[tert-butyl(dimethyl)silyl]oxy-5-fluoropentanoate
SMILESCOC(=O)C[C@@H](N)[C@@H](CF)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26FNO3Si/c1-12(2,3)18(5,6)17-10(8-13)9(14)7-11(15)16-4/h9-10H,7-8,14H2,1-6H3/t9-,10-/m1/s1
InChIKeyJJUKNMGAHVHHPO-NXEZZACHSA-N
MW279.43 g/mol
LogP2.24
Rot. Bonds6

About methyl (3R,4S)-3-amino-4-[tert-butyl(dimethyl)silyl]oxy-5-fluoropentanoate

methyl (3R,4S)-3-amino-4-[tert-butyl(dimethyl)silyl]oxy-5-fluoropentanoate (PubChem CID 59806230) has the molecular formula C12H26FNO3Si and a molecular weight of 279.43 g/mol. Its IUPAC name is methyl (3R,4S)-3-amino-4-[tert-butyl(dimethyl)silyl]oxy-5-fluoropentanoate.

Molecular Properties

Compound Namemethyl (3R,4S)-3-amino-4-[tert-butyl(dimethyl)silyl]oxy-5-fluoropentanoate
PubChem CID59806230
Molecular FormulaC12H26FNO3Si
Molecular Weight279.43 g/mol
Exact Mass279.17
IUPAC Namemethyl (3R,4S)-3-amino-4-[tert-butyl(dimethyl)silyl]oxy-5-fluoropentanoate
SMILESCOC(=O)C[C@@H](N)[C@@H](CF)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26FNO3Si/c1-12(2,3)18(5,6)17-10(8-13)9(14)7-11(15)16-4/h9-10H,7-8,14H2,1-6H3/t9-,10-/m1/s1
InChIKeyJJUKNMGAHVHHPO-NXEZZACHSA-N
XLogP2.24
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl (3R,4S)-3-amino-4-[tert-butyl(dimethyl)silyl]oxy-5-fluoropentanoate with MolForge

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Related Compounds

dimethyl (2R)-2-[tert-butyl(dimethyl)silyl]oxybutanedioate
CID 102115680
methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-oxobutanoate
CID 15202310
methyl (3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-7-oxoheptanoate
CID 11514981
methyl (3R,4S)-3-amino-6-hydroxy-4,6-dimethylheptanoate
CID 101480223
methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoate
CID 14264897
methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-5-oxohexanoate
CID 89272980
methyl (3R)-3-amino-4-ethylhexanoate
CID 104941142
methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxytetradecanoate
CID 58160475
methyl (E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxyhept-5-enoate
CID 10424227
methyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate
CID 11817464
methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhexanoate
CID 101115916
methyl 5-[tert-butyl(dimethyl)silyl]oxy-3-oxoheptanoate
CID 74025798

Frequently Asked Questions

What is the IUPAC name of methyl (3R,4S)-3-amino-4-[tert-butyl(dimethyl)silyl]oxy-5-fluoropentanoate?
The IUPAC name of methyl (3R,4S)-3-amino-4-[tert-butyl(dimethyl)silyl]oxy-5-fluoropentanoate (CID 59806230) is methyl (3R,4S)-3-amino-4-[tert-butyl(dimethyl)silyl]oxy-5-fluoropentanoate.
What is the SMILES notation for methyl (3R,4S)-3-amino-4-[tert-butyl(dimethyl)silyl]oxy-5-fluoropentanoate?
The canonical SMILES for methyl (3R,4S)-3-amino-4-[tert-butyl(dimethyl)silyl]oxy-5-fluoropentanoate is COC(=O)C[C@@H](N)[C@@H](CF)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (3R,4S)-3-amino-4-[tert-butyl(dimethyl)silyl]oxy-5-fluoropentanoate?
The InChIKey is JJUKNMGAHVHHPO-NXEZZACHSA-N. The full InChI is InChI=1S/C12H26FNO3Si/c1-12(2,3)18(5,6)17-10(8-13)9(14)7-11(15)16-4/h9-10H,7-8,14H2,1-6H3/t9-,10-/m1/s1.
What are the key properties of methyl (3R,4S)-3-amino-4-[tert-butyl(dimethyl)silyl]oxy-5-fluoropentanoate?
methyl (3R,4S)-3-amino-4-[tert-butyl(dimethyl)silyl]oxy-5-fluoropentanoate has a molecular weight of 279.43 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R,4S)-3-amino-4-[tert-butyl(dimethyl)silyl]oxy-5-fluoropentanoate is sourced from PubChem (CID 59806230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).