methyl 2-amino-4,4,4-trifluoro-3-methoxybutanoate

C6H10F3NO3 — CID 167732301

IUPACmethyl 2-amino-4,4,4-trifluoro-3-methoxybutanoate
SMILESCOC(=O)C(N)C(OC)C(F)(F)F
InChIInChI=1S/C6H10F3NO3/c1-12-4(6(7,8)9)3(10)5(11)13-2/h3-4H,10H2,1-2H3
InChIKeyKJHKMGGRSOLLLQ-UHFFFAOYSA-N
MW201.14 g/mol
LogP0.06
Rot. Bonds3

About methyl 2-amino-4,4,4-trifluoro-3-methoxybutanoate

methyl 2-amino-4,4,4-trifluoro-3-methoxybutanoate (PubChem CID 167732301) has the molecular formula C6H10F3NO3 and a molecular weight of 201.14 g/mol. Its IUPAC name is methyl 2-amino-4,4,4-trifluoro-3-methoxybutanoate.

Molecular Properties

Compound Namemethyl 2-amino-4,4,4-trifluoro-3-methoxybutanoate
PubChem CID167732301
Molecular FormulaC6H10F3NO3
Molecular Weight201.14 g/mol
Exact Mass201.06
IUPAC Namemethyl 2-amino-4,4,4-trifluoro-3-methoxybutanoate
SMILESCOC(=O)C(N)C(OC)C(F)(F)F
InChIInChI=1S/C6H10F3NO3/c1-12-4(6(7,8)9)3(10)5(11)13-2/h3-4H,10H2,1-2H3
InChIKeyKJHKMGGRSOLLLQ-UHFFFAOYSA-N
XLogP0.06
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.14
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

dimethyl (2R,3S)-2-amino-3-methoxybutanedioate;2,2,2-trifluoroacetic acid
CID 11370186
methyl 2-amino-4,4,4-trifluoro-3-phenylbutanoate
CID 68725831
methyl (2S,3R)-2-amino-3-fluorobutanoate
CID 131009170
methyl 2-bromo-3,3,3-trifluoropropanoate
CID 2782385
methyl (3R)-2-amino-3-methoxybutanoate
CID 87094409
methyl (2R)-2-amino-3-fluoro-3-methylbutanoate
CID 91978307
methyl 2-amino-3-methylbutanoate chloride
CID 3083912
dimethyl (2S)-2-amino-3-hydroxybutanedioate
CID 11030367
methyl (2S)-2-amino-5,5,5-trifluoro-4-(trifluoromethyl)pentanoate;hydrochloride
CID 44717556
methyl 3,3,3-trifluoro-2-(fluoromethyl)propanoate
CID 174453515
methyl (2R)-2-amino-3-fluoro-4-methylpentanoate
CID 131230035
(2S,3R)-1,1,1-trifluoro-2-methoxypentan-3-amine
CID 170384161

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4,4,4-trifluoro-3-methoxybutanoate?
The IUPAC name of methyl 2-amino-4,4,4-trifluoro-3-methoxybutanoate (CID 167732301) is methyl 2-amino-4,4,4-trifluoro-3-methoxybutanoate.
What is the SMILES notation for methyl 2-amino-4,4,4-trifluoro-3-methoxybutanoate?
The canonical SMILES for methyl 2-amino-4,4,4-trifluoro-3-methoxybutanoate is COC(=O)C(N)C(OC)C(F)(F)F.
What is the InChIKey of methyl 2-amino-4,4,4-trifluoro-3-methoxybutanoate?
The InChIKey is KJHKMGGRSOLLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO3/c1-12-4(6(7,8)9)3(10)5(11)13-2/h3-4H,10H2,1-2H3.
What are the key properties of methyl 2-amino-4,4,4-trifluoro-3-methoxybutanoate?
methyl 2-amino-4,4,4-trifluoro-3-methoxybutanoate has a molecular weight of 201.14 g/mol, XLogP of 0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4,4,4-trifluoro-3-methoxybutanoate is sourced from PubChem (CID 167732301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).