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

C10H12FNO2 — CID 16768986

IUPAC2-[(3-fluorophenyl)methylamino]propanoic acid
SMILESCC(NCc1cccc(F)c1)C(=O)O
InChIInChI=1S/C10H12FNO2/c1-7(10(13)14)12-6-8-3-2-4-9(11)5-8/h2-5,7,12H,6H2,1H3,(H,13,14)
InChIKeyLEVMPCLFKMFMNU-UHFFFAOYSA-N
MW197.21 g/mol
LogP1.39
Rot. Bonds4

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

2-[(3-fluorophenyl)methylamino]propanoic acid (PubChem CID 16768986) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methylamino]propanoic acid.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methylamino]propanoic acid
PubChem CID16768986
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Name2-[(3-fluorophenyl)methylamino]propanoic acid
SMILESCC(NCc1cccc(F)c1)C(=O)O
InChIInChI=1S/C10H12FNO2/c1-7(10(13)14)12-6-8-3-2-4-9(11)5-8/h2-5,7,12H,6H2,1H3,(H,13,14)
InChIKeyLEVMPCLFKMFMNU-UHFFFAOYSA-N
XLogP1.39
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(3-fluorophenyl)methylamino]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

(2R)-2-[(3-fluorophenyl)methylamino]-N-methylpropanamide
CID 28970574
(2S)-2-[(3,4-difluorophenyl)methylamino]propanoic acid
CID 83195012
2-[(3-fluorophenyl)methylamino]-N-pentylpropanamide
CID 43123289
3-[(3-fluorophenyl)methylamino]-2-methylbutan-1-ol
CID 111448702
3-[(3-fluorophenyl)methylamino]butan-1-ol
CID 78997881
2-[[3-(phosphonomethyl)phenyl]methylamino]propanoic acid
CID 19801626
2-amino-N-[(3-fluorophenyl)methyl]propanamide
CID 43123316
N-[(3-fluorophenyl)methyl]-3-methylbutan-2-amine
CID 43085072
2-[(3-fluorophenyl)methylcarbamoyl]-3-methylbutanoic acid
CID 115186223
(2R)-2-[[(2S)-3-(3-fluorophenyl)-2-methylpropanoyl]amino]propanoic acid
CID 124887779
(2R)-2-[[(2R)-3-(3-fluorophenyl)-2-methylpropanoyl]amino]propanoic acid
CID 124887788
2-[(3-ethoxyphenyl)methylamino]propanoic acid
CID 61499824

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methylamino]propanoic acid?
The IUPAC name of 2-[(3-fluorophenyl)methylamino]propanoic acid (CID 16768986) is 2-[(3-fluorophenyl)methylamino]propanoic acid.
What is the SMILES notation for 2-[(3-fluorophenyl)methylamino]propanoic acid?
The canonical SMILES for 2-[(3-fluorophenyl)methylamino]propanoic acid is CC(NCc1cccc(F)c1)C(=O)O.
What is the InChIKey of 2-[(3-fluorophenyl)methylamino]propanoic acid?
The InChIKey is LEVMPCLFKMFMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2/c1-7(10(13)14)12-6-8-3-2-4-9(11)5-8/h2-5,7,12H,6H2,1H3,(H,13,14).
What are the key properties of 2-[(3-fluorophenyl)methylamino]propanoic acid?
2-[(3-fluorophenyl)methylamino]propanoic acid has a molecular weight of 197.21 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methylamino]propanoic acid is sourced from PubChem (CID 16768986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).