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

C10H11F2NO2 — CID 63668898

IUPACmethyl 3-amino-3-(2,3-difluorophenyl)propanoate
SMILESCOC(=O)CC(N)c1cccc(F)c1F
InChIInChI=1S/C10H11F2NO2/c1-15-9(14)5-8(13)6-3-2-4-7(11)10(6)12/h2-4,8H,5,13H2,1H3
InChIKeySZQXFDYPSDEMOG-UHFFFAOYSA-N
MW215.20 g/mol
LogP1.53
Rot. Bonds3

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

methyl 3-amino-3-(2,3-difluorophenyl)propanoate (PubChem CID 63668898) has the molecular formula C10H11F2NO2 and a molecular weight of 215.20 g/mol. Its IUPAC name is methyl 3-amino-3-(2,3-difluorophenyl)propanoate.

Molecular Properties

Compound Namemethyl 3-amino-3-(2,3-difluorophenyl)propanoate
PubChem CID63668898
Molecular FormulaC10H11F2NO2
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Namemethyl 3-amino-3-(2,3-difluorophenyl)propanoate
SMILESCOC(=O)CC(N)c1cccc(F)c1F
InChIInChI=1S/C10H11F2NO2/c1-15-9(14)5-8(13)6-3-2-4-7(11)10(6)12/h2-4,8H,5,13H2,1H3
InChIKeySZQXFDYPSDEMOG-UHFFFAOYSA-N
XLogP1.53
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 ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (3R)-3-amino-3-(3-fluoro-2-methylphenyl)propanoate;hydrochloride
CID 171247663
methyl (3S)-3-amino-3-(3-bromo-2-fluorophenyl)propanoate;hydrochloride
CID 171240901
methyl 4-amino-3-(2,3-difluorophenyl)butanoate
CID 66096205
methyl (3R)-3-amino-3-(2,3-difluoro-4-methylphenyl)propanoate
CID 171249752
methyl (3S)-3-amino-3-(2,3-difluoro-4-methylphenyl)propanoate
CID 171243019
methyl (3S)-3-amino-3-(2,3-difluoro-4-methylphenyl)propanoate;hydrochloride
CID 171243020
methyl (3R)-3-amino-3-(2-fluoro-6-methoxyphenyl)propanoate
CID 171249964
methyl (3S)-3-amino-3-(2,3,6-trifluorophenyl)propanoate
CID 171241363
ethyl (3S)-3-amino-3-(2-fluoro-3-methoxyphenyl)propanoate
CID 171225305
ethyl (3S)-3-amino-3-(2-fluorophenyl)propanoate
CID 723062
methyl 3-amino-3-(2-fluoro-5-methylphenyl)propanoate
CID 103846565
methyl (3R)-3-amino-3-(2,3-dimethoxyphenyl)propanoate
CID 7175981

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-3-(2,3-difluorophenyl)propanoate?
The IUPAC name of methyl 3-amino-3-(2,3-difluorophenyl)propanoate (CID 63668898) is methyl 3-amino-3-(2,3-difluorophenyl)propanoate.
What is the SMILES notation for methyl 3-amino-3-(2,3-difluorophenyl)propanoate?
The canonical SMILES for methyl 3-amino-3-(2,3-difluorophenyl)propanoate is COC(=O)CC(N)c1cccc(F)c1F.
What is the InChIKey of methyl 3-amino-3-(2,3-difluorophenyl)propanoate?
The InChIKey is SZQXFDYPSDEMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO2/c1-15-9(14)5-8(13)6-3-2-4-7(11)10(6)12/h2-4,8H,5,13H2,1H3.
What are the key properties of methyl 3-amino-3-(2,3-difluorophenyl)propanoate?
methyl 3-amino-3-(2,3-difluorophenyl)propanoate has a molecular weight of 215.20 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-3-(2,3-difluorophenyl)propanoate is sourced from PubChem (CID 63668898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).