3-[[1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]-methylamino]propanoic acid;hydrochloride

C15H22ClFN2O3 — CID 119911512

IUPAC3-[[1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]-methylamino]propanoic acid;hydrochloride
SMILESCC(NC(=O)C(C)N(C)CCC(=O)O)c1ccc(F)cc1.Cl
InChIInChI=1S/C15H21FN2O3.ClH/c1-10(12-4-6-13(16)7-5-12)17-15(21)11(2)18(3)9-8-14(19)20;/h4-7,10-11H,8-9H2,1-3H3,(H,17,21)(H,19,20);1H
InChIKeyASUWUKKQLDFNCW-UHFFFAOYSA-N
MW332.80 g/mol
LogP2.22
Rot. Bonds7

About 3-[[1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]-methylamino]propanoic acid;hydrochloride

3-[[1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]-methylamino]propanoic acid;hydrochloride (PubChem CID 119911512) has the molecular formula C15H22ClFN2O3 and a molecular weight of 332.80 g/mol. Its IUPAC name is 3-[[1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]-methylamino]propanoic acid;hydrochloride.

Molecular Properties

Compound Name3-[[1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]-methylamino]propanoic acid;hydrochloride
PubChem CID119911512
Molecular FormulaC15H22ClFN2O3
Molecular Weight332.80 g/mol
Exact Mass332.13
IUPAC Name3-[[1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]-methylamino]propanoic acid;hydrochloride
SMILESCC(NC(=O)C(C)N(C)CCC(=O)O)c1ccc(F)cc1.Cl
InChIInChI=1S/C15H21FN2O3.ClH/c1-10(12-4-6-13(16)7-5-12)17-15(21)11(2)18(3)9-8-14(19)20;/h4-7,10-11H,8-9H2,1-3H3,(H,17,21)(H,19,20);1H
InChIKeyASUWUKKQLDFNCW-UHFFFAOYSA-N
XLogP2.22
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.80
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]-methylamino]propanoic acid;hydrochloride 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-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]-methylamino]propanoic acid;hydrochloride
CID 119912217
3-[[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-methylamino]propanoic acid
CID 82313139
3-[methyl-[1-[1-(2-methylphenyl)ethylamino]-1-oxopropan-2-yl]amino]propanoic acid
CID 119911517
6-[1-(4-fluorophenyl)ethylamino]-6-oxohexanoic acid
CID 54867660
5-[1-(4-fluorophenyl)ethylamino]-5-oxopentanoic acid
CID 60662109
N-[1-(4-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)acetamide
CID 78916745
(2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(N-methylsulfonylanilino)propanamide
CID 92684693
(2R)-2-[(2-amino-2-oxoethyl)-methylamino]-N-[(1R)-1-phenylethyl]propanamide
CID 94150043
3-[1-(4-fluorophenyl)ethylamino]propanoic acid
CID 43087255
2-[(2-chlorophenyl)methyl-methylamino]-N-(1-phenylethyl)propanamide
CID 46801717
N'-[(1R)-1-(4-fluorophenyl)ethyl]-N-[(1R)-1-phenylethyl]oxamide
CID 30405081
2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 81349591

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]-methylamino]propanoic acid;hydrochloride?
The IUPAC name of 3-[[1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]-methylamino]propanoic acid;hydrochloride (CID 119911512) is 3-[[1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]-methylamino]propanoic acid;hydrochloride.
What is the SMILES notation for 3-[[1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]-methylamino]propanoic acid;hydrochloride?
The canonical SMILES for 3-[[1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]-methylamino]propanoic acid;hydrochloride is CC(NC(=O)C(C)N(C)CCC(=O)O)c1ccc(F)cc1.Cl.
What is the InChIKey of 3-[[1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]-methylamino]propanoic acid;hydrochloride?
The InChIKey is ASUWUKKQLDFNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3.ClH/c1-10(12-4-6-13(16)7-5-12)17-15(21)11(2)18(3)9-8-14(19)20;/h4-7,10-11H,8-9H2,1-3H3,(H,17,21)(H,19,20);1H.
What are the key properties of 3-[[1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]-methylamino]propanoic acid;hydrochloride?
3-[[1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]-methylamino]propanoic acid;hydrochloride has a molecular weight of 332.80 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]-methylamino]propanoic acid;hydrochloride is sourced from PubChem (CID 119911512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).