2-[[4-(3-fluorophenyl)-3-methylbutanoyl]-methylamino]propanoic acid

C15H20FNO3 — CID 119359285

IUPAC2-[[4-(3-fluorophenyl)-3-methylbutanoyl]-methylamino]propanoic acid
SMILESCC(CC(=O)N(C)C(C)C(=O)O)Cc1cccc(F)c1
InChIInChI=1S/C15H20FNO3/c1-10(7-12-5-4-6-13(16)9-12)8-14(18)17(3)11(2)15(19)20/h4-6,9-11H,7-8H2,1-3H3,(H,19,20)
InChIKeyMBSSJCUBVOLVDT-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.33
Rot. Bonds6

About 2-[[4-(3-fluorophenyl)-3-methylbutanoyl]-methylamino]propanoic acid

2-[[4-(3-fluorophenyl)-3-methylbutanoyl]-methylamino]propanoic acid (PubChem CID 119359285) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 2-[[4-(3-fluorophenyl)-3-methylbutanoyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[[4-(3-fluorophenyl)-3-methylbutanoyl]-methylamino]propanoic acid
PubChem CID119359285
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Name2-[[4-(3-fluorophenyl)-3-methylbutanoyl]-methylamino]propanoic acid
SMILESCC(CC(=O)N(C)C(C)C(=O)O)Cc1cccc(F)c1
InChIInChI=1S/C15H20FNO3/c1-10(7-12-5-4-6-13(16)9-12)8-14(18)17(3)11(2)15(19)20/h4-6,9-11H,7-8H2,1-3H3,(H,19,20)
InChIKeyMBSSJCUBVOLVDT-UHFFFAOYSA-N
XLogP2.33
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[[4-(3-fluorophenyl)-3-methylbutanoyl]-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-[[4-(3-fluorophenyl)-3-methylbutanoyl]-(2-methylpropyl)amino]acetic acid
CID 86814558
(3S)-N-ethyl-4-(3-fluorophenyl)-N-[(2S)-2-hydroxypropyl]-3-methylbutanamide
CID 124882902
3-[[4-(3-fluorophenyl)-3-methylbutanoyl]amino]butanoic acid
CID 119347966
2-[[4-(3-fluorophenyl)-3-methylbutanoyl]amino]acetic acid
CID 119350465
4-(3-fluorophenyl)-2,3-dimethylbutanoic acid
CID 81008506
4-[4-(3-fluorophenyl)-3-methylbutanoyl]-N,N-dimethylpiperazine-1-carboxamide
CID 71866997
N-(3-aminobutyl)-4-(3-fluorophenyl)-3-methylbutanamide
CID 119499131
1-[[4-(3-fluorophenyl)-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid
CID 119350665
disodium;2-[(3-fluorophenyl)methyl]propanedioic acid;hydride
CID 174597525
(3R)-N-[(2S)-1-amino-1-oxopropan-2-yl]-4-(3-fluorophenyl)-3-methylbutanamide
CID 95903648
1-fluoro-3-[(2S)-2-methylbutyl]benzene
CID 125477231
(2R)-2-[(3-fluorophenyl)methyl]butanedioic acid
CID 96723137

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-fluorophenyl)-3-methylbutanoyl]-methylamino]propanoic acid?
The IUPAC name of 2-[[4-(3-fluorophenyl)-3-methylbutanoyl]-methylamino]propanoic acid (CID 119359285) is 2-[[4-(3-fluorophenyl)-3-methylbutanoyl]-methylamino]propanoic acid.
What is the SMILES notation for 2-[[4-(3-fluorophenyl)-3-methylbutanoyl]-methylamino]propanoic acid?
The canonical SMILES for 2-[[4-(3-fluorophenyl)-3-methylbutanoyl]-methylamino]propanoic acid is CC(CC(=O)N(C)C(C)C(=O)O)Cc1cccc(F)c1.
What is the InChIKey of 2-[[4-(3-fluorophenyl)-3-methylbutanoyl]-methylamino]propanoic acid?
The InChIKey is MBSSJCUBVOLVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-10(7-12-5-4-6-13(16)9-12)8-14(18)17(3)11(2)15(19)20/h4-6,9-11H,7-8H2,1-3H3,(H,19,20).
What are the key properties of 2-[[4-(3-fluorophenyl)-3-methylbutanoyl]-methylamino]propanoic acid?
2-[[4-(3-fluorophenyl)-3-methylbutanoyl]-methylamino]propanoic acid has a molecular weight of 281.33 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-fluorophenyl)-3-methylbutanoyl]-methylamino]propanoic acid is sourced from PubChem (CID 119359285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).