3-amino-3-[3-(2,4-difluorophenyl)phenyl]propanoic acid

C15H13F2NO2 — CID 135367202

IUPAC3-amino-3-[3-(2,4-difluorophenyl)phenyl]propanoic acid
SMILESNC(CC(=O)O)c1cccc(-c2ccc(F)cc2F)c1
InChIInChI=1S/C15H13F2NO2/c16-11-4-5-12(13(17)7-11)9-2-1-3-10(6-9)14(18)8-15(19)20/h1-7,14H,8,18H2,(H,19,20)
InChIKeyLXZSJZIRMDFGIT-UHFFFAOYSA-N
MW277.27 g/mol
LogP3.11
Rot. Bonds4

About 3-amino-3-[3-(2,4-difluorophenyl)phenyl]propanoic acid

3-amino-3-[3-(2,4-difluorophenyl)phenyl]propanoic acid (PubChem CID 135367202) has the molecular formula C15H13F2NO2 and a molecular weight of 277.27 g/mol. Its IUPAC name is 3-amino-3-[3-(2,4-difluorophenyl)phenyl]propanoic acid.

Molecular Properties

Compound Name3-amino-3-[3-(2,4-difluorophenyl)phenyl]propanoic acid
PubChem CID135367202
Molecular FormulaC15H13F2NO2
Molecular Weight277.27 g/mol
Exact Mass277.09
IUPAC Name3-amino-3-[3-(2,4-difluorophenyl)phenyl]propanoic acid
SMILESNC(CC(=O)O)c1cccc(-c2ccc(F)cc2F)c1
InChIInChI=1S/C15H13F2NO2/c16-11-4-5-12(13(17)7-11)9-2-1-3-10(6-9)14(18)8-15(19)20/h1-7,14H,8,18H2,(H,19,20)
InChIKeyLXZSJZIRMDFGIT-UHFFFAOYSA-N
XLogP3.11
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-3-(3-fluorophenyl)propanoic acid
CID 580128
(3S)-3-amino-3-[5-(2,4-difluorophenyl)-2-fluorophenyl]propanoic acid
CID 135366913
3-amino-3-[3-(2,4-difluorophenyl)-4-methylphenyl]propanoic acid
CID 135367196
(3S)-3-amino-3-(4-fluoro-3-phenylphenyl)propanoic acid
CID 135365867
(3S)-3-amino-3-[3-(3-chlorophenyl)phenyl]propanoic acid
CID 135366038
3-amino-3-[3-(3-chlorophenyl)phenyl]propanoic acid
CID 135366041
(3S)-3-amino-3-[3-(2,4-dimethoxyphenyl)phenyl]propanoic acid
CID 135366980
3-amino-3-[3-(4-fluorophenyl)phenyl]propanamide
CID 170876260
(3S)-3-amino-3-[3-(2,6-dimethoxyphenyl)phenyl]propanoic acid
CID 135366920
3-(2,4-difluorophenyl)phenol
CID 11356203
(3S)-3-amino-3-[3-(2,5-dimethoxyphenyl)phenyl]propanoic acid
CID 135366938
(3S)-3-amino-3-[3-(2,6-dimethylphenyl)-5-fluorophenyl]propanoic acid
CID 135366884

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-[3-(2,4-difluorophenyl)phenyl]propanoic acid?
The IUPAC name of 3-amino-3-[3-(2,4-difluorophenyl)phenyl]propanoic acid (CID 135367202) is 3-amino-3-[3-(2,4-difluorophenyl)phenyl]propanoic acid.
What is the SMILES notation for 3-amino-3-[3-(2,4-difluorophenyl)phenyl]propanoic acid?
The canonical SMILES for 3-amino-3-[3-(2,4-difluorophenyl)phenyl]propanoic acid is NC(CC(=O)O)c1cccc(-c2ccc(F)cc2F)c1.
What is the InChIKey of 3-amino-3-[3-(2,4-difluorophenyl)phenyl]propanoic acid?
The InChIKey is LXZSJZIRMDFGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO2/c16-11-4-5-12(13(17)7-11)9-2-1-3-10(6-9)14(18)8-15(19)20/h1-7,14H,8,18H2,(H,19,20).
What are the key properties of 3-amino-3-[3-(2,4-difluorophenyl)phenyl]propanoic acid?
3-amino-3-[3-(2,4-difluorophenyl)phenyl]propanoic acid has a molecular weight of 277.27 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-[3-(2,4-difluorophenyl)phenyl]propanoic acid is sourced from PubChem (CID 135367202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).