3-[[1-(2-fluorophenyl)-2-phenylethyl]carbamoyl-methylamino]propanoic acid

C19H21FN2O3 — CID 122003284

IUPAC3-[[1-(2-fluorophenyl)-2-phenylethyl]carbamoyl-methylamino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)NC(Cc1ccccc1)c1ccccc1F
InChIInChI=1S/C19H21FN2O3/c1-22(12-11-18(23)24)19(25)21-17(13-14-7-3-2-4-8-14)15-9-5-6-10-16(15)20/h2-10,17H,11-13H2,1H3,(H,21,25)(H,23,24)
InChIKeyALIBTTVJUPCHTH-UHFFFAOYSA-N
MW344.39 g/mol
LogP3.23
Rot. Bonds7

About 3-[[1-(2-fluorophenyl)-2-phenylethyl]carbamoyl-methylamino]propanoic acid

3-[[1-(2-fluorophenyl)-2-phenylethyl]carbamoyl-methylamino]propanoic acid (PubChem CID 122003284) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is 3-[[1-(2-fluorophenyl)-2-phenylethyl]carbamoyl-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[[1-(2-fluorophenyl)-2-phenylethyl]carbamoyl-methylamino]propanoic acid
PubChem CID122003284
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Name3-[[1-(2-fluorophenyl)-2-phenylethyl]carbamoyl-methylamino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)NC(Cc1ccccc1)c1ccccc1F
InChIInChI=1S/C19H21FN2O3/c1-22(12-11-18(23)24)19(25)21-17(13-14-7-3-2-4-8-14)15-9-5-6-10-16(15)20/h2-10,17H,11-13H2,1H3,(H,21,25)(H,23,24)
InChIKeyALIBTTVJUPCHTH-UHFFFAOYSA-N
XLogP3.23
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[[1-(2-fluorophenyl)-2-phenylethyl]carbamoyl-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

3-[(1-cyclopropyl-2-phenylethyl)carbamoyl-methylamino]propanoic acid
CID 122002942
3-[[1-(1,3-benzothiazol-2-yl)-2-phenylethyl]carbamoyl-methylamino]propanoic acid
CID 122016727
3-[methyl-[[(1S)-1-(2-methylsulfanylphenyl)ethyl]carbamoyl]amino]propanoic acid
CID 122013272
2-amino-N-[1-(2-fluorophenyl)-2-phenylethyl]-3-methoxypropanamide;hydrochloride
CID 120990602
3-[methyl-[(2R)-2-methyl-3-phenylpropanoyl]amino]propanoic acid
CID 99849415
3-[2,3-diphenylpropylcarbamoyl(methyl)amino]propanoic acid
CID 122005203
4-[1-(4-fluorophenyl)propan-2-ylcarbamoyl-methylamino]butanoic acid
CID 62995451
3-[[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]carbamoyl-methylamino]propanoic acid
CID 122015949
(2R)-2-[[methyl(propyl)carbamoyl]amino]-3-phenylpropanoic acid
CID 104902324
4-[[(1S)-1-(2-fluorophenyl)ethyl]amino]-4-oxobutanoic acid
CID 81380068
4-[[methyl(pent-4-enyl)carbamoyl]amino]-5-phenylpentanoic acid
CID 122028340
N-[1-(2-fluorophenyl)-2-phenylethyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 119041966

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-fluorophenyl)-2-phenylethyl]carbamoyl-methylamino]propanoic acid?
The IUPAC name of 3-[[1-(2-fluorophenyl)-2-phenylethyl]carbamoyl-methylamino]propanoic acid (CID 122003284) is 3-[[1-(2-fluorophenyl)-2-phenylethyl]carbamoyl-methylamino]propanoic acid.
What is the SMILES notation for 3-[[1-(2-fluorophenyl)-2-phenylethyl]carbamoyl-methylamino]propanoic acid?
The canonical SMILES for 3-[[1-(2-fluorophenyl)-2-phenylethyl]carbamoyl-methylamino]propanoic acid is CN(CCC(=O)O)C(=O)NC(Cc1ccccc1)c1ccccc1F.
What is the InChIKey of 3-[[1-(2-fluorophenyl)-2-phenylethyl]carbamoyl-methylamino]propanoic acid?
The InChIKey is ALIBTTVJUPCHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-22(12-11-18(23)24)19(25)21-17(13-14-7-3-2-4-8-14)15-9-5-6-10-16(15)20/h2-10,17H,11-13H2,1H3,(H,21,25)(H,23,24).
What are the key properties of 3-[[1-(2-fluorophenyl)-2-phenylethyl]carbamoyl-methylamino]propanoic acid?
3-[[1-(2-fluorophenyl)-2-phenylethyl]carbamoyl-methylamino]propanoic acid has a molecular weight of 344.39 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-fluorophenyl)-2-phenylethyl]carbamoyl-methylamino]propanoic acid is sourced from PubChem (CID 122003284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).