methyl 2-amino-2-tert-butyl-3,3-difluorobutanoate

C9H17F2NO2 — CID 105462709

IUPACmethyl 2-amino-2-tert-butyl-3,3-difluorobutanoate
SMILESCOC(=O)C(N)(C(C)(C)C)C(C)(F)F
InChIInChI=1S/C9H17F2NO2/c1-7(2,3)9(12,6(13)14-5)8(4,10)11/h12H2,1-5H3
InChIKeyMXQKPQBFYMHZBZ-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.56
Rot. Bonds2

About methyl 2-amino-2-tert-butyl-3,3-difluorobutanoate

methyl 2-amino-2-tert-butyl-3,3-difluorobutanoate (PubChem CID 105462709) has the molecular formula C9H17F2NO2 and a molecular weight of 209.24 g/mol. Its IUPAC name is methyl 2-amino-2-tert-butyl-3,3-difluorobutanoate.

Molecular Properties

Compound Namemethyl 2-amino-2-tert-butyl-3,3-difluorobutanoate
PubChem CID105462709
Molecular FormulaC9H17F2NO2
Molecular Weight209.24 g/mol
Exact Mass209.12
IUPAC Namemethyl 2-amino-2-tert-butyl-3,3-difluorobutanoate
SMILESCOC(=O)C(N)(C(C)(C)C)C(C)(F)F
InChIInChI=1S/C9H17F2NO2/c1-7(2,3)9(12,6(13)14-5)8(4,10)11/h12H2,1-5H3
InChIKeyMXQKPQBFYMHZBZ-UHFFFAOYSA-N
XLogP1.56
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-difluoro-2-methoxycarbonyl-2-methylbutanoic acid
CID 135382206
methyl (2R)-2-amino-3-bromo-3,3-difluoro-2-methylpropanoate
CID 15939140
methyl 2,2-diaminopropanoate;dihydrochloride
CID 142678303
methyl (2R)-2-amino-2-bromopropanoate
CID 87903437
methyl 2-amino-2,2-dihydroxyacetate
CID 123538749
methyl 2-tert-butyl-2,3,3-trimethylbutanoate
CID 12696477
methyl 2-amino-2-fluorobutanoate;hydrochloride
CID 142778169
methyl 2,2-difluoro-3,3-dihydroxybutanoate
CID 91543242
methyl (2R)-2,3-diamino-2-methyl-3-oxopropanoate
CID 87710360
methyl (2R)-2,3-diamino-2-methyl-3-oxopropanoate;hydrochloride
CID 87710370
methyl 2-amino-2-methylselanylpropanoate
CID 141138215
methyl (2S,3R)-2-amino-3-hydroxy-2-methylbutanoate
CID 15609948

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-tert-butyl-3,3-difluorobutanoate?
The IUPAC name of methyl 2-amino-2-tert-butyl-3,3-difluorobutanoate (CID 105462709) is methyl 2-amino-2-tert-butyl-3,3-difluorobutanoate.
What is the SMILES notation for methyl 2-amino-2-tert-butyl-3,3-difluorobutanoate?
The canonical SMILES for methyl 2-amino-2-tert-butyl-3,3-difluorobutanoate is COC(=O)C(N)(C(C)(C)C)C(C)(F)F.
What is the InChIKey of methyl 2-amino-2-tert-butyl-3,3-difluorobutanoate?
The InChIKey is MXQKPQBFYMHZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO2/c1-7(2,3)9(12,6(13)14-5)8(4,10)11/h12H2,1-5H3.
What are the key properties of methyl 2-amino-2-tert-butyl-3,3-difluorobutanoate?
methyl 2-amino-2-tert-butyl-3,3-difluorobutanoate has a molecular weight of 209.24 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-tert-butyl-3,3-difluorobutanoate is sourced from PubChem (CID 105462709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).