3-[1-(2-fluorophenoxy)propan-2-ylamino]propanoic acid

C12H16FNO3 — CID 167878771

IUPAC3-[1-(2-fluorophenoxy)propan-2-ylamino]propanoic acid
SMILESCC(COc1ccccc1F)NCCC(=O)O
InChIInChI=1S/C12H16FNO3/c1-9(14-7-6-12(15)16)8-17-11-5-3-2-4-10(11)13/h2-5,9,14H,6-8H2,1H3,(H,15,16)
InChIKeyICTFLEDRRPCWHR-UHFFFAOYSA-N
MW241.26 g/mol
LogP1.66
Rot. Bonds7

About 3-[1-(2-fluorophenoxy)propan-2-ylamino]propanoic acid

3-[1-(2-fluorophenoxy)propan-2-ylamino]propanoic acid (PubChem CID 167878771) has the molecular formula C12H16FNO3 and a molecular weight of 241.26 g/mol. Its IUPAC name is 3-[1-(2-fluorophenoxy)propan-2-ylamino]propanoic acid.

Molecular Properties

Compound Name3-[1-(2-fluorophenoxy)propan-2-ylamino]propanoic acid
PubChem CID167878771
Molecular FormulaC12H16FNO3
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Name3-[1-(2-fluorophenoxy)propan-2-ylamino]propanoic acid
SMILESCC(COc1ccccc1F)NCCC(=O)O
InChIInChI=1S/C12H16FNO3/c1-9(14-7-6-12(15)16)8-17-11-5-3-2-4-10(11)13/h2-5,9,14H,6-8H2,1H3,(H,15,16)
InChIKeyICTFLEDRRPCWHR-UHFFFAOYSA-N
XLogP1.66
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[1-(2-fluorophenoxy)propan-2-ylamino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-(2-fluorophenyl)ethylamino]propanoic acid
CID 43087232
methyl 2-[(2-fluorophenoxy)methyl]-3-methylbutanoate
CID 117242489
2-(2-fluorophenoxy)-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]acetamide
CID 94623553
N-[2-(2-fluorophenoxy)ethyl]butan-2-amine
CID 2935869
N-[2-(2-fluorophenoxy)ethyl]-2-methylpropanamide
CID 110478459
5-[3-(2-fluorophenoxy)propanoylamino]-4-methylpentanoic acid
CID 82009038
2-[[(2R)-1-(2-fluorophenoxy)propan-2-yl]carbamoylamino]-N-(2-methylpropyl)acetamide
CID 95159960
1-(2,5-difluorophenoxy)-N-propylpropan-2-amine
CID 63269982
methyl 3-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]propanoate
CID 54935588
(2R)-2-[3-(2-fluorophenoxy)propanoylamino]propanoic acid
CID 54990985
N-[1-(2-fluorophenoxy)propan-2-yl]-3,5-dimethylpiperidine-1-carboxamide
CID 60577814
1-[(2S)-1-(2-fluorophenoxy)propan-2-yl]-3-(4-hydroxycyclohexyl)urea
CID 94594223

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-fluorophenoxy)propan-2-ylamino]propanoic acid?
The IUPAC name of 3-[1-(2-fluorophenoxy)propan-2-ylamino]propanoic acid (CID 167878771) is 3-[1-(2-fluorophenoxy)propan-2-ylamino]propanoic acid.
What is the SMILES notation for 3-[1-(2-fluorophenoxy)propan-2-ylamino]propanoic acid?
The canonical SMILES for 3-[1-(2-fluorophenoxy)propan-2-ylamino]propanoic acid is CC(COc1ccccc1F)NCCC(=O)O.
What is the InChIKey of 3-[1-(2-fluorophenoxy)propan-2-ylamino]propanoic acid?
The InChIKey is ICTFLEDRRPCWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3/c1-9(14-7-6-12(15)16)8-17-11-5-3-2-4-10(11)13/h2-5,9,14H,6-8H2,1H3,(H,15,16).
What are the key properties of 3-[1-(2-fluorophenoxy)propan-2-ylamino]propanoic acid?
3-[1-(2-fluorophenoxy)propan-2-ylamino]propanoic acid has a molecular weight of 241.26 g/mol, XLogP of 1.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-fluorophenoxy)propan-2-ylamino]propanoic acid is sourced from PubChem (CID 167878771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).