methyl 2-amino-3-fluoro-2-(3-fluorophenyl)butanoate

C11H13F2NO2 — CID 105486320

IUPACmethyl 2-amino-3-fluoro-2-(3-fluorophenyl)butanoate
SMILESCOC(=O)C(N)(c1cccc(F)c1)C(C)F
InChIInChI=1S/C11H13F2NO2/c1-7(12)11(14,10(15)16-2)8-4-3-5-9(13)6-8/h3-7H,14H2,1-2H3
InChIKeyKJJCOAWTRHCGJU-UHFFFAOYSA-N
MW229.23 g/mol
LogP1.51
Rot. Bonds3

About methyl 2-amino-3-fluoro-2-(3-fluorophenyl)butanoate

methyl 2-amino-3-fluoro-2-(3-fluorophenyl)butanoate (PubChem CID 105486320) has the molecular formula C11H13F2NO2 and a molecular weight of 229.23 g/mol. Its IUPAC name is methyl 2-amino-3-fluoro-2-(3-fluorophenyl)butanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-fluoro-2-(3-fluorophenyl)butanoate
PubChem CID105486320
Molecular FormulaC11H13F2NO2
Molecular Weight229.23 g/mol
Exact Mass229.09
IUPAC Namemethyl 2-amino-3-fluoro-2-(3-fluorophenyl)butanoate
SMILESCOC(=O)C(N)(c1cccc(F)c1)C(C)F
InChIInChI=1S/C11H13F2NO2/c1-7(12)11(14,10(15)16-2)8-4-3-5-9(13)6-8/h3-7H,14H2,1-2H3
InChIKeyKJJCOAWTRHCGJU-UHFFFAOYSA-N
XLogP1.51
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-amino-3-fluoro-2-(4-fluorophenyl)butanoate
CID 105486322
methyl 2-(3-fluorophenyl)-2-hydrazinylpropanoate
CID 146310495
methyl 2-amino-3-(3-fluorophenyl)-2,3-dimethylbutanoate
CID 115043081
1-O-methyl 4-O-prop-2-enyl (2R)-3-acetyl-2-amino-2-(3-fluorophenyl)butanedioate
CID 69408770
methyl 2-amino-2-cyclopropyl-2-(3-fluorophenyl)acetate
CID 66593115
methyl (2R)-2-cyclopentyl-2-(3-fluorophenyl)propanoate
CID 129395594
methyl 2-(aminomethyl)-2-(3-fluorophenyl)-4-propan-2-yloxybutanoate
CID 106509496
(2S)-2-amino-N-[2-(3-fluorophenyl)propan-2-yl]propanamide
CID 119330298
N-[2-(3-fluorophenyl)propan-2-yl]-2-methylpropanamide
CID 110470332
methyl 2-(ethylamino)-2-(3-fluorophenyl)propanoate
CID 60788040
methyl (2S)-3-[2-(3-fluorophenyl)propan-2-ylsulfamoyl]-2-methylpropanoate
CID 129392760
methyl 3-amino-2-cyclopropyl-2-(3-fluorophenyl)propanoate
CID 106509500

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-fluoro-2-(3-fluorophenyl)butanoate?
The IUPAC name of methyl 2-amino-3-fluoro-2-(3-fluorophenyl)butanoate (CID 105486320) is methyl 2-amino-3-fluoro-2-(3-fluorophenyl)butanoate.
What is the SMILES notation for methyl 2-amino-3-fluoro-2-(3-fluorophenyl)butanoate?
The canonical SMILES for methyl 2-amino-3-fluoro-2-(3-fluorophenyl)butanoate is COC(=O)C(N)(c1cccc(F)c1)C(C)F.
What is the InChIKey of methyl 2-amino-3-fluoro-2-(3-fluorophenyl)butanoate?
The InChIKey is KJJCOAWTRHCGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO2/c1-7(12)11(14,10(15)16-2)8-4-3-5-9(13)6-8/h3-7H,14H2,1-2H3.
What are the key properties of methyl 2-amino-3-fluoro-2-(3-fluorophenyl)butanoate?
methyl 2-amino-3-fluoro-2-(3-fluorophenyl)butanoate has a molecular weight of 229.23 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-fluoro-2-(3-fluorophenyl)butanoate is sourced from PubChem (CID 105486320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).