2-[[5-(4-fluorophenyl)furan-2-yl]methyl-methylamino]propanoic acid

C15H16FNO3 — CID 122036744

IUPAC2-[[5-(4-fluorophenyl)furan-2-yl]methyl-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)Cc1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C15H16FNO3/c1-10(15(18)19)17(2)9-13-7-8-14(20-13)11-3-5-12(16)6-4-11/h3-8,10H,9H2,1-2H3,(H,18,19)
InChIKeyOEFLFZZFXMLNTM-UHFFFAOYSA-N
MW277.30 g/mol
LogP2.99
Rot. Bonds5

About 2-[[5-(4-fluorophenyl)furan-2-yl]methyl-methylamino]propanoic acid

2-[[5-(4-fluorophenyl)furan-2-yl]methyl-methylamino]propanoic acid (PubChem CID 122036744) has the molecular formula C15H16FNO3 and a molecular weight of 277.30 g/mol. Its IUPAC name is 2-[[5-(4-fluorophenyl)furan-2-yl]methyl-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[[5-(4-fluorophenyl)furan-2-yl]methyl-methylamino]propanoic acid
PubChem CID122036744
Molecular FormulaC15H16FNO3
Molecular Weight277.30 g/mol
Exact Mass277.11
IUPAC Name2-[[5-(4-fluorophenyl)furan-2-yl]methyl-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)Cc1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C15H16FNO3/c1-10(15(18)19)17(2)9-13-7-8-14(20-13)11-3-5-12(16)6-4-11/h3-8,10H,9H2,1-2H3,(H,18,19)
InChIKeyOEFLFZZFXMLNTM-UHFFFAOYSA-N
XLogP2.99
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[5-(4-fluorophenyl)furan-2-yl]methyl-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-[methyl-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]amino]propanoic acid
CID 122036729
2-[methyl-[[5-(3-nitrophenyl)furan-2-yl]methyl]amino]propanoic acid
CID 122036952
(2R)-2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]propanamide
CID 8857548
2-[(4-fluorophenyl)methyl-methylamino]propanoic acid
CID 61413497
2-fluoro-3-[5-(4-fluorophenyl)furan-2-yl]propanoic acid
CID 81357652
2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-N-(methylcarbamoyl)propanamide
CID 42883929
2-[(5-fluoro-2-methylphenyl)methyl-methylamino]propanoic acid
CID 105372419
methyl (2S)-2-[[5-(4-fluorophenyl)furan-2-yl]methylamino]propanoate
CID 43723505
(2R)-N-[(4-fluorophenyl)methyl]-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide
CID 41380466
1-[5-(4-fluorophenyl)furan-2-yl]propan-1-one
CID 62632212
3-[[5-(2,6-difluorophenyl)furan-2-yl]methyl-methylamino]-2-methylpropanoic acid
CID 122046913
2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]propanoic acid
CID 62637971

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-fluorophenyl)furan-2-yl]methyl-methylamino]propanoic acid?
The IUPAC name of 2-[[5-(4-fluorophenyl)furan-2-yl]methyl-methylamino]propanoic acid (CID 122036744) is 2-[[5-(4-fluorophenyl)furan-2-yl]methyl-methylamino]propanoic acid.
What is the SMILES notation for 2-[[5-(4-fluorophenyl)furan-2-yl]methyl-methylamino]propanoic acid?
The canonical SMILES for 2-[[5-(4-fluorophenyl)furan-2-yl]methyl-methylamino]propanoic acid is CC(C(=O)O)N(C)Cc1ccc(-c2ccc(F)cc2)o1.
What is the InChIKey of 2-[[5-(4-fluorophenyl)furan-2-yl]methyl-methylamino]propanoic acid?
The InChIKey is OEFLFZZFXMLNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3/c1-10(15(18)19)17(2)9-13-7-8-14(20-13)11-3-5-12(16)6-4-11/h3-8,10H,9H2,1-2H3,(H,18,19).
What are the key properties of 2-[[5-(4-fluorophenyl)furan-2-yl]methyl-methylamino]propanoic acid?
2-[[5-(4-fluorophenyl)furan-2-yl]methyl-methylamino]propanoic acid has a molecular weight of 277.30 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-fluorophenyl)furan-2-yl]methyl-methylamino]propanoic acid is sourced from PubChem (CID 122036744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).