3-[[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]-methylamino]propanoic acid

C15H21FN2O3 — CID 119911679

IUPAC3-[[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]-methylamino]propanoic acid
SMILESCC(C(=O)N(C)Cc1cccc(F)c1)N(C)CCC(=O)O
InChIInChI=1S/C15H21FN2O3/c1-11(17(2)8-7-14(19)20)15(21)18(3)10-12-5-4-6-13(16)9-12/h4-6,9,11H,7-8,10H2,1-3H3,(H,19,20)
InChIKeyXSLHJFIKXZNTJJ-UHFFFAOYSA-N
MW296.34 g/mol
LogP1.58
Rot. Bonds7

About 3-[[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]-methylamino]propanoic acid

3-[[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]-methylamino]propanoic acid (PubChem CID 119911679) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is 3-[[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]-methylamino]propanoic acid
PubChem CID119911679
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Name3-[[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]-methylamino]propanoic acid
SMILESCC(C(=O)N(C)Cc1cccc(F)c1)N(C)CCC(=O)O
InChIInChI=1S/C15H21FN2O3/c1-11(17(2)8-7-14(19)20)15(21)18(3)10-12-5-4-6-13(16)9-12/h4-6,9,11H,7-8,10H2,1-3H3,(H,19,20)
InChIKeyXSLHJFIKXZNTJJ-UHFFFAOYSA-N
XLogP1.58
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]-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

2-[ethyl(methyl)amino]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 60516816
4-amino-5-[(3-fluorophenyl)methyl-methylamino]-5-oxopentanoic acid
CID 64895214
3-[4-(3-fluorophenyl)butan-2-yl-methylamino]propanoic acid
CID 122037359
(2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[methyl(2-morpholin-4-ylethyl)amino]propanamide
CID 95343013
2,2-difluoro-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 103600519
3-[(3-fluorophenyl)methyl-methylamino]-2-(methylamino)-3-oxopropanoic acid
CID 115189481
2-amino-3-[(3-fluorophenyl)methyl-methylamino]-3-oxopropanoic acid
CID 115179409
2-amino-N-[(3-fluorophenyl)methyl]-N,3-dimethylbutanamide
CID 43211988
(2R)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 8710042
(2S)-2-[(3-fluorophenyl)methyl-methylamino]-N-phenylpropanamide
CID 8516170
N-[(3-fluorophenyl)methyl]-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide
CID 46561832
(2S)-2-amino-N-[(3-fluorophenyl)methyl]-N-methyl-3-phenylpropanamide
CID 28802517

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]-methylamino]propanoic acid?
The IUPAC name of 3-[[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]-methylamino]propanoic acid (CID 119911679) is 3-[[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]-methylamino]propanoic acid.
What is the SMILES notation for 3-[[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]-methylamino]propanoic acid?
The canonical SMILES for 3-[[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]-methylamino]propanoic acid is CC(C(=O)N(C)Cc1cccc(F)c1)N(C)CCC(=O)O.
What is the InChIKey of 3-[[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]-methylamino]propanoic acid?
The InChIKey is XSLHJFIKXZNTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3/c1-11(17(2)8-7-14(19)20)15(21)18(3)10-12-5-4-6-13(16)9-12/h4-6,9,11H,7-8,10H2,1-3H3,(H,19,20).
What are the key properties of 3-[[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]-methylamino]propanoic acid?
3-[[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]-methylamino]propanoic acid has a molecular weight of 296.34 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]-methylamino]propanoic acid is sourced from PubChem (CID 119911679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).