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

C10H12ClF2NO2 — CID 67095214

IUPACmethyl (2R)-2-amino-3-(2,4-difluorophenyl)propanoate;hydrochloride
SMILESCOC(=O)[C@H](N)Cc1ccc(F)cc1F.Cl
InChIInChI=1S/C10H11F2NO2.ClH/c1-15-10(14)9(13)4-6-2-3-7(11)5-8(6)12;/h2-3,5,9H,4,13H2,1H3;1H/t9-;/m1./s1
InChIKeyBWQUBOSEDWRCLP-SBSPUUFOSA-N
MW251.66 g/mol
LogP1.43
Rot. Bonds3

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

methyl (2R)-2-amino-3-(2,4-difluorophenyl)propanoate;hydrochloride (PubChem CID 67095214) has the molecular formula C10H12ClF2NO2 and a molecular weight of 251.66 g/mol. Its IUPAC name is methyl (2R)-2-amino-3-(2,4-difluorophenyl)propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl (2R)-2-amino-3-(2,4-difluorophenyl)propanoate;hydrochloride
PubChem CID67095214
Molecular FormulaC10H12ClF2NO2
Molecular Weight251.66 g/mol
Exact Mass251.05
IUPAC Namemethyl (2R)-2-amino-3-(2,4-difluorophenyl)propanoate;hydrochloride
SMILESCOC(=O)[C@H](N)Cc1ccc(F)cc1F.Cl
InChIInChI=1S/C10H11F2NO2.ClH/c1-15-10(14)9(13)4-6-2-3-7(11)5-8(6)12;/h2-3,5,9H,4,13H2,1H3;1H/t9-;/m1./s1
InChIKeyBWQUBOSEDWRCLP-SBSPUUFOSA-N
XLogP1.43
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.66
LogP ≤ 51.43
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;hydrochloride?
The IUPAC name of methyl (2R)-2-amino-3-(2,4-difluorophenyl)propanoate;hydrochloride (CID 67095214) is methyl (2R)-2-amino-3-(2,4-difluorophenyl)propanoate;hydrochloride.
What is the SMILES notation for methyl (2R)-2-amino-3-(2,4-difluorophenyl)propanoate;hydrochloride?
The canonical SMILES for methyl (2R)-2-amino-3-(2,4-difluorophenyl)propanoate;hydrochloride is COC(=O)[C@H](N)Cc1ccc(F)cc1F.Cl.
What is the InChIKey of methyl (2R)-2-amino-3-(2,4-difluorophenyl)propanoate;hydrochloride?
The InChIKey is BWQUBOSEDWRCLP-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H11F2NO2.ClH/c1-15-10(14)9(13)4-6-2-3-7(11)5-8(6)12;/h2-3,5,9H,4,13H2,1H3;1H/t9-;/m1./s1.
What are the key properties of methyl (2R)-2-amino-3-(2,4-difluorophenyl)propanoate;hydrochloride?
methyl (2R)-2-amino-3-(2,4-difluorophenyl)propanoate;hydrochloride has a molecular weight of 251.66 g/mol, XLogP of 1.43, 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;hydrochloride is sourced from PubChem (CID 67095214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).