3-(2,6-difluorophenyl)-3-(methylamino)propanoic acid

C10H11F2NO2 — CID 65236427

IUPAC3-(2,6-difluorophenyl)-3-(methylamino)propanoic acid
SMILESCNC(CC(=O)O)c1c(F)cccc1F
InChIInChI=1S/C10H11F2NO2/c1-13-8(5-9(14)15)10-6(11)3-2-4-7(10)12/h2-4,8,13H,5H2,1H3,(H,14,15)
InChIKeyVKCPUGKELKWISV-UHFFFAOYSA-N
MW215.20 g/mol
LogP1.70
Rot. Bonds4

About 3-(2,6-difluorophenyl)-3-(methylamino)propanoic acid

3-(2,6-difluorophenyl)-3-(methylamino)propanoic acid (PubChem CID 65236427) has the molecular formula C10H11F2NO2 and a molecular weight of 215.20 g/mol. Its IUPAC name is 3-(2,6-difluorophenyl)-3-(methylamino)propanoic acid.

Molecular Properties

Compound Name3-(2,6-difluorophenyl)-3-(methylamino)propanoic acid
PubChem CID65236427
Molecular FormulaC10H11F2NO2
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Name3-(2,6-difluorophenyl)-3-(methylamino)propanoic acid
SMILESCNC(CC(=O)O)c1c(F)cccc1F
InChIInChI=1S/C10H11F2NO2/c1-13-8(5-9(14)15)10-6(11)3-2-4-7(10)12/h2-4,8,13H,5H2,1H3,(H,14,15)
InChIKeyVKCPUGKELKWISV-UHFFFAOYSA-N
XLogP1.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-difluorophenyl)-3-(methylamino)propanoic acid
CID 65236492
3-[2-(difluoromethyl)-3-fluorophenyl]butanoic acid
CID 84695364
3-(2-chloro-6-fluorophenyl)pentanedioic acid
CID 82132940
3-(methylamino)-3-(2-methylphenyl)propanoic acid
CID 65236485
1-(2,6-difluorophenyl)-2-(1,3-dioxolan-2-yl)-N-methylethanamine
CID 103546759
3-(2,3-difluorophenyl)-3-(propylamino)propanoic acid
CID 65234358
3-(3,4-dimethylphenyl)-3-(methylamino)propanoic acid
CID 65236773
1-(2,6-difluorophenyl)-N-methyloctan-1-amine
CID 79523217
(3S)-3-(2-chloro-6-fluorophenyl)-3-hydroxypropanoic acid
CID 94425333
3-[3-(2-fluorophenyl)butanoylamino]-3-phenylpropanoic acid
CID 119114018
(3R)-3-(2,6-difluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 7015491
(2R)-2-(2-chloro-6-fluorophenyl)-2-(methylamino)acetic acid
CID 93280060

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluorophenyl)-3-(methylamino)propanoic acid?
The IUPAC name of 3-(2,6-difluorophenyl)-3-(methylamino)propanoic acid (CID 65236427) is 3-(2,6-difluorophenyl)-3-(methylamino)propanoic acid.
What is the SMILES notation for 3-(2,6-difluorophenyl)-3-(methylamino)propanoic acid?
The canonical SMILES for 3-(2,6-difluorophenyl)-3-(methylamino)propanoic acid is CNC(CC(=O)O)c1c(F)cccc1F.
What is the InChIKey of 3-(2,6-difluorophenyl)-3-(methylamino)propanoic acid?
The InChIKey is VKCPUGKELKWISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO2/c1-13-8(5-9(14)15)10-6(11)3-2-4-7(10)12/h2-4,8,13H,5H2,1H3,(H,14,15).
What are the key properties of 3-(2,6-difluorophenyl)-3-(methylamino)propanoic acid?
3-(2,6-difluorophenyl)-3-(methylamino)propanoic acid has a molecular weight of 215.20 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluorophenyl)-3-(methylamino)propanoic acid is sourced from PubChem (CID 65236427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).