methyl (2R)-2-amino-3-(2,4-difluorophenyl)propanoate

C10H11F2NO2 — CID 67095215

IUPACmethyl (2R)-2-amino-3-(2,4-difluorophenyl)propanoate
SMILESCOC(=O)[C@H](N)Cc1ccc(F)cc1F
InChIInChI=1S/C10H11F2NO2/c1-15-10(14)9(13)4-6-2-3-7(11)5-8(6)12/h2-3,5,9H,4,13H2,1H3/t9-/m1/s1
InChIKeyWTDVYINTUREYJH-SECBINFHSA-N
MW215.20 g/mol
LogP1.01
Rot. Bonds3

About methyl (2R)-2-amino-3-(2,4-difluorophenyl)propanoate

methyl (2R)-2-amino-3-(2,4-difluorophenyl)propanoate (PubChem CID 67095215) has the molecular formula C10H11F2NO2 and a molecular weight of 215.20 g/mol. Its IUPAC name is methyl (2R)-2-amino-3-(2,4-difluorophenyl)propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-amino-3-(2,4-difluorophenyl)propanoate
PubChem CID67095215
Molecular FormulaC10H11F2NO2
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Namemethyl (2R)-2-amino-3-(2,4-difluorophenyl)propanoate
SMILESCOC(=O)[C@H](N)Cc1ccc(F)cc1F
InChIInChI=1S/C10H11F2NO2/c1-15-10(14)9(13)4-6-2-3-7(11)5-8(6)12/h2-3,5,9H,4,13H2,1H3/t9-/m1/s1
InChIKeyWTDVYINTUREYJH-SECBINFHSA-N
XLogP1.01
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-3-(2,4-difluorophenyl)propanoate?
The IUPAC name of methyl (2R)-2-amino-3-(2,4-difluorophenyl)propanoate (CID 67095215) is methyl (2R)-2-amino-3-(2,4-difluorophenyl)propanoate.
What is the SMILES notation for methyl (2R)-2-amino-3-(2,4-difluorophenyl)propanoate?
The canonical SMILES for methyl (2R)-2-amino-3-(2,4-difluorophenyl)propanoate is COC(=O)[C@H](N)Cc1ccc(F)cc1F.
What is the InChIKey of methyl (2R)-2-amino-3-(2,4-difluorophenyl)propanoate?
The InChIKey is WTDVYINTUREYJH-SECBINFHSA-N. The full InChI is InChI=1S/C10H11F2NO2/c1-15-10(14)9(13)4-6-2-3-7(11)5-8(6)12/h2-3,5,9H,4,13H2,1H3/t9-/m1/s1.
What are the key properties of methyl (2R)-2-amino-3-(2,4-difluorophenyl)propanoate?
methyl (2R)-2-amino-3-(2,4-difluorophenyl)propanoate has a molecular weight of 215.20 g/mol, XLogP of 1.01, 3 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-(2,4-difluorophenyl)propanoate is sourced from PubChem (CID 67095215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).