3-amino-2-[2-(dimethylamino)-5-fluorophenyl]propanoic acid

C11H15FN2O2 — CID 117325479

IUPAC3-amino-2-[2-(dimethylamino)-5-fluorophenyl]propanoic acid
SMILESCN(C)c1ccc(F)cc1C(CN)C(=O)O
InChIInChI=1S/C11H15FN2O2/c1-14(2)10-4-3-7(12)5-8(10)9(6-13)11(15)16/h3-5,9H,6,13H2,1-2H3,(H,15,16)
InChIKeyRUWJAKQSBFAELA-UHFFFAOYSA-N
MW226.25 g/mol
LogP1.02
Rot. Bonds4

About 3-amino-2-[2-(dimethylamino)-5-fluorophenyl]propanoic acid

3-amino-2-[2-(dimethylamino)-5-fluorophenyl]propanoic acid (PubChem CID 117325479) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 3-amino-2-[2-(dimethylamino)-5-fluorophenyl]propanoic acid.

Molecular Properties

Compound Name3-amino-2-[2-(dimethylamino)-5-fluorophenyl]propanoic acid
PubChem CID117325479
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name3-amino-2-[2-(dimethylamino)-5-fluorophenyl]propanoic acid
SMILESCN(C)c1ccc(F)cc1C(CN)C(=O)O
InChIInChI=1S/C11H15FN2O2/c1-14(2)10-4-3-7(12)5-8(10)9(6-13)11(15)16/h3-5,9H,6,13H2,1-2H3,(H,15,16)
InChIKeyRUWJAKQSBFAELA-UHFFFAOYSA-N
XLogP1.02
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-(5-fluoro-2-hydroxyphenyl)propanoic acid
CID 82607416
3-amino-2-[4-fluoro-2-(trifluoromethyl)phenyl]propanoic acid
CID 117116266
2-(1-aminoethyl)-4-fluoro-N,N-dimethylaniline
CID 43188896
3-amino-2-(2-cyclobutyloxy-5-fluorophenyl)propanoic acid
CID 117385574
3-amino-2-[5-(dimethylamino)-2-(trifluoromethyl)phenyl]propanoic acid
CID 117116272
3-amino-2-(2,4,5-trifluorophenyl)propanoic acid
CID 84684316
3-amino-N-(2,4-difluorophenyl)-N,2-dimethylpropanamide
CID 115153564
ethyl 2-[2-(dimethylamino)-4-fluorophenyl]-2-hydroxyacetate
CID 117108833
3-amino-2-(2-chloro-3-fluoro-4-methylphenyl)propanoic acid
CID 117335337
(2S)-2-(2,4-difluorophenyl)-3-hydroxypropanoic acid
CID 171716727
3-amino-2-(3-chloro-4-fluoro-2-methylphenyl)propanoic acid
CID 84794960
2-amino-2-[2-(dimethylamino)-5-ethylphenyl]acetic acid
CID 117115118

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[2-(dimethylamino)-5-fluorophenyl]propanoic acid?
The IUPAC name of 3-amino-2-[2-(dimethylamino)-5-fluorophenyl]propanoic acid (CID 117325479) is 3-amino-2-[2-(dimethylamino)-5-fluorophenyl]propanoic acid.
What is the SMILES notation for 3-amino-2-[2-(dimethylamino)-5-fluorophenyl]propanoic acid?
The canonical SMILES for 3-amino-2-[2-(dimethylamino)-5-fluorophenyl]propanoic acid is CN(C)c1ccc(F)cc1C(CN)C(=O)O.
What is the InChIKey of 3-amino-2-[2-(dimethylamino)-5-fluorophenyl]propanoic acid?
The InChIKey is RUWJAKQSBFAELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-14(2)10-4-3-7(12)5-8(10)9(6-13)11(15)16/h3-5,9H,6,13H2,1-2H3,(H,15,16).
What are the key properties of 3-amino-2-[2-(dimethylamino)-5-fluorophenyl]propanoic acid?
3-amino-2-[2-(dimethylamino)-5-fluorophenyl]propanoic acid has a molecular weight of 226.25 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[2-(dimethylamino)-5-fluorophenyl]propanoic acid is sourced from PubChem (CID 117325479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).