methyl (3R)-3-amino-3-(2,5-difluorophenyl)propanoate;hydrochloride

C10H12ClF2NO2 — CID 171247795

IUPACmethyl (3R)-3-amino-3-(2,5-difluorophenyl)propanoate;hydrochloride
SMILESCOC(=O)C[C@@H](N)c1cc(F)ccc1F.Cl
InChIInChI=1S/C10H11F2NO2.ClH/c1-15-10(14)5-9(13)7-4-6(11)2-3-8(7)12;/h2-4,9H,5,13H2,1H3;1H/t9-;/m1./s1
InChIKeyRTFKCFKYSVPMRD-SBSPUUFOSA-N
MW251.66 g/mol
LogP1.95
Rot. Bonds3

About methyl (3R)-3-amino-3-(2,5-difluorophenyl)propanoate;hydrochloride

methyl (3R)-3-amino-3-(2,5-difluorophenyl)propanoate;hydrochloride (PubChem CID 171247795) has the molecular formula C10H12ClF2NO2 and a molecular weight of 251.66 g/mol. Its IUPAC name is methyl (3R)-3-amino-3-(2,5-difluorophenyl)propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl (3R)-3-amino-3-(2,5-difluorophenyl)propanoate;hydrochloride
PubChem CID171247795
Molecular FormulaC10H12ClF2NO2
Molecular Weight251.66 g/mol
Exact Mass251.05
IUPAC Namemethyl (3R)-3-amino-3-(2,5-difluorophenyl)propanoate;hydrochloride
SMILESCOC(=O)C[C@@H](N)c1cc(F)ccc1F.Cl
InChIInChI=1S/C10H11F2NO2.ClH/c1-15-10(14)5-9(13)7-4-6(11)2-3-8(7)12;/h2-4,9H,5,13H2,1H3;1H/t9-;/m1./s1
InChIKeyRTFKCFKYSVPMRD-SBSPUUFOSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-amino-3-(2-fluoro-5-methylphenyl)propanoate
CID 103846565
methyl (3R)-3-amino-3-[5-fluoro-2-(trifluoromethyl)phenyl]propanoate
CID 171249410
methyl (3R)-3-amino-3-[2-fluoro-5-(trifluoromethyl)phenyl]propanoate
CID 171249573
methyl (3R)-3-amino-3-(2-chloro-4-fluorophenyl)propanoate
CID 103694392
methyl (3S)-3-amino-3-(4-fluoro-2-methoxyphenyl)propanoate
CID 171243535
ethyl 5-amino-5-(2,5-difluorophenyl)-3-methylpentanoate
CID 62935187
methyl (3S)-3-amino-3-(3,4-difluorophenyl)propanoate;hydrochloride
CID 171243036
methyl (3R)-3-amino-3-(3-fluoro-2-methylphenyl)propanoate;hydrochloride
CID 171247663
methyl (2S)-2-amino-2-(2,5-difluorophenyl)acetate
CID 51888842
ethyl 5-amino-5-(2,5-difluorophenyl)pentanoate
CID 60861649
methyl (3R)-3-amino-3-(3,4-difluorophenyl)propanoate
CID 29059566
methyl (3S)-3-amino-3-(2,3-difluoro-4-methylphenyl)propanoate;hydrochloride
CID 171243020

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-amino-3-(2,5-difluorophenyl)propanoate;hydrochloride?
The IUPAC name of methyl (3R)-3-amino-3-(2,5-difluorophenyl)propanoate;hydrochloride (CID 171247795) is methyl (3R)-3-amino-3-(2,5-difluorophenyl)propanoate;hydrochloride.
What is the SMILES notation for methyl (3R)-3-amino-3-(2,5-difluorophenyl)propanoate;hydrochloride?
The canonical SMILES for methyl (3R)-3-amino-3-(2,5-difluorophenyl)propanoate;hydrochloride is COC(=O)C[C@@H](N)c1cc(F)ccc1F.Cl.
What is the InChIKey of methyl (3R)-3-amino-3-(2,5-difluorophenyl)propanoate;hydrochloride?
The InChIKey is RTFKCFKYSVPMRD-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H11F2NO2.ClH/c1-15-10(14)5-9(13)7-4-6(11)2-3-8(7)12;/h2-4,9H,5,13H2,1H3;1H/t9-;/m1./s1.
What are the key properties of methyl (3R)-3-amino-3-(2,5-difluorophenyl)propanoate;hydrochloride?
methyl (3R)-3-amino-3-(2,5-difluorophenyl)propanoate;hydrochloride has a molecular weight of 251.66 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-amino-3-(2,5-difluorophenyl)propanoate;hydrochloride is sourced from PubChem (CID 171247795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).