2-[[2-(3-fluorophenyl)-2-hydroxyethyl]-methylamino]propanoic acid

C12H16FNO3 — CID 138003566

IUPAC2-[[2-(3-fluorophenyl)-2-hydroxyethyl]-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)CC(O)c1cccc(F)c1
InChIInChI=1S/C12H16FNO3/c1-8(12(16)17)14(2)7-11(15)9-4-3-5-10(13)6-9/h3-6,8,11,15H,7H2,1-2H3,(H,16,17)
InChIKeyGPEGQIDDWLQBME-UHFFFAOYSA-N
MW241.26 g/mol
LogP1.26
Rot. Bonds5

About 2-[[2-(3-fluorophenyl)-2-hydroxyethyl]-methylamino]propanoic acid

2-[[2-(3-fluorophenyl)-2-hydroxyethyl]-methylamino]propanoic acid (PubChem CID 138003566) has the molecular formula C12H16FNO3 and a molecular weight of 241.26 g/mol. Its IUPAC name is 2-[[2-(3-fluorophenyl)-2-hydroxyethyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[[2-(3-fluorophenyl)-2-hydroxyethyl]-methylamino]propanoic acid
PubChem CID138003566
Molecular FormulaC12H16FNO3
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Name2-[[2-(3-fluorophenyl)-2-hydroxyethyl]-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)CC(O)c1cccc(F)c1
InChIInChI=1S/C12H16FNO3/c1-8(12(16)17)14(2)7-11(15)9-4-3-5-10(13)6-9/h3-6,8,11,15H,7H2,1-2H3,(H,16,17)
InChIKeyGPEGQIDDWLQBME-UHFFFAOYSA-N
XLogP1.26
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3,5-difluorophenyl)propyl-methylamino]propanoic acid
CID 122036895
1-cyclopropyl-2-[[2-(3-fluorophenyl)-2-hydroxyethyl]-methylamino]ethanol
CID 111858572
(2S)-2-amino-N-[2-(3-fluorophenyl)-2-hydroxyethyl]propanamide
CID 119306982
(3R)-3-(3-fluorophenyl)butanoic acid
CID 28791547
2-[[2-(2-chlorophenyl)-2-hydroxyethyl]-methylamino]-2-(3-fluorophenyl)acetamide
CID 110930711
2-ethoxy-2-(3-fluorophenyl)acetic acid
CID 68560749
2-[(5-fluoro-2-methylphenyl)methyl-methylamino]propanoic acid
CID 105372419
4-[[1-(3-fluorophenyl)ethyl-methylamino]methyl]benzoic acid
CID 65056307
(1R,2R)-1-fluoro-1-(3-fluorophenyl)propan-2-ol
CID 122372146
1-(3-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-ol
CID 62629838
2-[[2-[tert-butyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]-methylamino]propanoic acid
CID 119913499
(2R)-2-[[(R)-(3-fluorophenyl)-phenylmethyl]carbamoylamino]-N,N-dimethylpropanamide
CID 97050764

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-fluorophenyl)-2-hydroxyethyl]-methylamino]propanoic acid?
The IUPAC name of 2-[[2-(3-fluorophenyl)-2-hydroxyethyl]-methylamino]propanoic acid (CID 138003566) is 2-[[2-(3-fluorophenyl)-2-hydroxyethyl]-methylamino]propanoic acid.
What is the SMILES notation for 2-[[2-(3-fluorophenyl)-2-hydroxyethyl]-methylamino]propanoic acid?
The canonical SMILES for 2-[[2-(3-fluorophenyl)-2-hydroxyethyl]-methylamino]propanoic acid is CC(C(=O)O)N(C)CC(O)c1cccc(F)c1.
What is the InChIKey of 2-[[2-(3-fluorophenyl)-2-hydroxyethyl]-methylamino]propanoic acid?
The InChIKey is GPEGQIDDWLQBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3/c1-8(12(16)17)14(2)7-11(15)9-4-3-5-10(13)6-9/h3-6,8,11,15H,7H2,1-2H3,(H,16,17).
What are the key properties of 2-[[2-(3-fluorophenyl)-2-hydroxyethyl]-methylamino]propanoic acid?
2-[[2-(3-fluorophenyl)-2-hydroxyethyl]-methylamino]propanoic acid has a molecular weight of 241.26 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-fluorophenyl)-2-hydroxyethyl]-methylamino]propanoic acid is sourced from PubChem (CID 138003566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).