methyl (2R)-2-amino-3-fluoro-3-methylbutanoate

C6H12FNO2 — CID 91978307

IUPACmethyl (2R)-2-amino-3-fluoro-3-methylbutanoate
SMILESCOC(=O)[C@@H](N)C(C)(C)F
InChIInChI=1S/C6H12FNO2/c1-6(2,7)4(8)5(9)10-3/h4H,8H2,1-3H3/t4-/m1/s1
InChIKeyGWTQQCIBNYVBMO-SCSAIBSYSA-N
MW149.16 g/mol
LogP0.23
Rot. Bonds2

About methyl (2R)-2-amino-3-fluoro-3-methylbutanoate

methyl (2R)-2-amino-3-fluoro-3-methylbutanoate (PubChem CID 91978307) has the molecular formula C6H12FNO2 and a molecular weight of 149.16 g/mol. Its IUPAC name is methyl (2R)-2-amino-3-fluoro-3-methylbutanoate.

Molecular Properties

Compound Namemethyl (2R)-2-amino-3-fluoro-3-methylbutanoate
PubChem CID91978307
Molecular FormulaC6H12FNO2
Molecular Weight149.16 g/mol
Exact Mass149.09
IUPAC Namemethyl (2R)-2-amino-3-fluoro-3-methylbutanoate
SMILESCOC(=O)[C@@H](N)C(C)(C)F
InChIInChI=1S/C6H12FNO2/c1-6(2,7)4(8)5(9)10-3/h4H,8H2,1-3H3/t4-/m1/s1
InChIKeyGWTQQCIBNYVBMO-SCSAIBSYSA-N
XLogP0.23
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.16
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl (2R)-2-amino-3-fluoro-3-methylbutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-fluoro-2-hydroxy-3-methylbutanoate
CID 15136874
methyl (2S)-2-amino-3,3-difluoropentanoate
CID 131230044
methyl 2-amino-3,3-dimethylpent-4-enoate
CID 22592920
methyl (2S,3R)-2-amino-4,4-difluoro-3-(hydroxymethyl)-3-methylbutanoate
CID 156577390
methyl 2-amino-3-cycloheptyl-3,3-difluoropropanoate
CID 105496040
methyl 2-amino-3-methyl-3-[3-(trifluoromethyl)phenyl]butanoate
CID 115050962
methyl 2-amino-4,4,4-trifluorobutanoate;hydrochloride
CID 44717559
methyl 2-amino-4,4,4-trifluoro-3-methoxybutanoate
CID 167732301
methyl 2-bromo-3,3,3-trifluoropropanoate
CID 2782385
dimethyl (2R,3S)-2-amino-3-methoxybutanedioate;2,2,2-trifluoroacetic acid
CID 11370186
methyl 2-methylbutanoate;1,1,1-trifluoroethane
CID 91439197
methyl (2S)-2-hydroxy-3,3-dimethylbutanoate
CID 10953657

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-3-fluoro-3-methylbutanoate?
The IUPAC name of methyl (2R)-2-amino-3-fluoro-3-methylbutanoate (CID 91978307) is methyl (2R)-2-amino-3-fluoro-3-methylbutanoate.
What is the SMILES notation for methyl (2R)-2-amino-3-fluoro-3-methylbutanoate?
The canonical SMILES for methyl (2R)-2-amino-3-fluoro-3-methylbutanoate is COC(=O)[C@@H](N)C(C)(C)F.
What is the InChIKey of methyl (2R)-2-amino-3-fluoro-3-methylbutanoate?
The InChIKey is GWTQQCIBNYVBMO-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H12FNO2/c1-6(2,7)4(8)5(9)10-3/h4H,8H2,1-3H3/t4-/m1/s1.
What are the key properties of methyl (2R)-2-amino-3-fluoro-3-methylbutanoate?
methyl (2R)-2-amino-3-fluoro-3-methylbutanoate has a molecular weight of 149.16 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-3-fluoro-3-methylbutanoate is sourced from PubChem (CID 91978307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).