3-(3,4-difluorophenyl)-3-(methylamino)propanoic acid

C10H11F2NO2 — CID 65236492

IUPAC3-(3,4-difluorophenyl)-3-(methylamino)propanoic acid
SMILESCNC(CC(=O)O)c1ccc(F)c(F)c1
InChIInChI=1S/C10H11F2NO2/c1-13-9(5-10(14)15)6-2-3-7(11)8(12)4-6/h2-4,9,13H,5H2,1H3,(H,14,15)
InChIKeyAMWHDPSDFRPNPF-UHFFFAOYSA-N
MW215.20 g/mol
LogP1.70
Rot. Bonds4

About 3-(3,4-difluorophenyl)-3-(methylamino)propanoic acid

3-(3,4-difluorophenyl)-3-(methylamino)propanoic acid (PubChem CID 65236492) has the molecular formula C10H11F2NO2 and a molecular weight of 215.20 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-3-(methylamino)propanoic acid.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-3-(methylamino)propanoic acid
PubChem CID65236492
Molecular FormulaC10H11F2NO2
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Name3-(3,4-difluorophenyl)-3-(methylamino)propanoic acid
SMILESCNC(CC(=O)O)c1ccc(F)c(F)c1
InChIInChI=1S/C10H11F2NO2/c1-13-9(5-10(14)15)6-2-3-7(11)8(12)4-6/h2-4,9,13H,5H2,1H3,(H,14,15)
InChIKeyAMWHDPSDFRPNPF-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

4-(3,4-difluorophenyl)-2,2-dimethyl-4-(methylamino)butanoic acid
CID 116953732
3-(3,4-dimethylphenyl)-3-(methylamino)propanoic acid
CID 65236773
3-(2,6-difluorophenyl)-3-(methylamino)propanoic acid
CID 65236427
2-chloro-1-(3,4-difluorophenyl)-N-methylethanamine
CID 116952603
1-(3,4-difluorophenyl)-N-methylpropane-1,3-diamine
CID 116948387
1-(3,4-difluorophenyl)-N-methyl-2-phenylethanamine
CID 43484623
3-(3-fluoro-4-methylphenyl)-3-(methylamino)propanamide
CID 65236584
4-amino-3-(3,4-difluorophenyl)pentanoic acid
CID 66097703
(3R)-3-acetamido-3-(4-bromo-3-fluorophenyl)propanoic acid
CID 81436558
1-(3,4-difluorophenyl)-N'-ethyl-N-methylethane-1,2-diamine
CID 116950316
(3S)-3-(4-fluoro-3-methylphenyl)-3-formamidopropanoic acid
CID 78961833
1-(3,4-difluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 62802846

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-3-(methylamino)propanoic acid?
The IUPAC name of 3-(3,4-difluorophenyl)-3-(methylamino)propanoic acid (CID 65236492) is 3-(3,4-difluorophenyl)-3-(methylamino)propanoic acid.
What is the SMILES notation for 3-(3,4-difluorophenyl)-3-(methylamino)propanoic acid?
The canonical SMILES for 3-(3,4-difluorophenyl)-3-(methylamino)propanoic acid is CNC(CC(=O)O)c1ccc(F)c(F)c1.
What is the InChIKey of 3-(3,4-difluorophenyl)-3-(methylamino)propanoic acid?
The InChIKey is AMWHDPSDFRPNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO2/c1-13-9(5-10(14)15)6-2-3-7(11)8(12)4-6/h2-4,9,13H,5H2,1H3,(H,14,15).
What are the key properties of 3-(3,4-difluorophenyl)-3-(methylamino)propanoic acid?
3-(3,4-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-(3,4-difluorophenyl)-3-(methylamino)propanoic acid is sourced from PubChem (CID 65236492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).