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

C11H14FNO2 — CID 61413497

IUPAC2-[(4-fluorophenyl)methyl-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)Cc1ccc(F)cc1
InChIInChI=1S/C11H14FNO2/c1-8(11(14)15)13(2)7-9-3-5-10(12)6-4-9/h3-6,8H,7H2,1-2H3,(H,14,15)
InChIKeyMHWAKAIUCQDBPI-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.73
Rot. Bonds4

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

2-[(4-fluorophenyl)methyl-methylamino]propanoic acid (PubChem CID 61413497) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl-methylamino]propanoic acid
PubChem CID61413497
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name2-[(4-fluorophenyl)methyl-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)Cc1ccc(F)cc1
InChIInChI=1S/C11H14FNO2/c1-8(11(14)15)13(2)7-9-3-5-10(12)6-4-9/h3-6,8H,7H2,1-2H3,(H,14,15)
InChIKeyMHWAKAIUCQDBPI-UHFFFAOYSA-N
XLogP1.73
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-fluoro-2-methylphenyl)methyl-methylamino]propanoic acid
CID 105372419
2-[[4-(2,2-difluoroethoxy)phenyl]methyl-methylamino]propanoic acid
CID 122036978
(2R)-2-[(4-fluorophenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide
CID 9251723
2-[(3-chloro-5-fluorophenyl)methyl-methylamino]propanoic acid
CID 114454928
2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]propanoic acid
CID 62637971
(2S)-2-[(4-fluorophenyl)methyl-methylamino]-N-pyrimidin-2-ylpropanamide
CID 94177190
2-[[5-(4-fluorophenyl)furan-2-yl]methyl-methylamino]propanoic acid
CID 122036744
2-[(3-cyano-4-fluorophenyl)methyl-methylamino]propanoic acid
CID 107882902
2-[(4-fluorophenyl)methyl-methylamino]propan-1-ol
CID 112701198
methyl 3-[(4-fluorophenyl)methyl-methylamino]-2-methylbutanoate
CID 79406233
2-[benzyl(methyl)amino]-1-(2,4-difluorophenyl)propan-1-one
CID 62051545
3-[(4-fluorophenyl)methyl-propanoylamino]-2-methylpropanoic acid
CID 82323322

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl-methylamino]propanoic acid?
The IUPAC name of 2-[(4-fluorophenyl)methyl-methylamino]propanoic acid (CID 61413497) is 2-[(4-fluorophenyl)methyl-methylamino]propanoic acid.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl-methylamino]propanoic acid?
The canonical SMILES for 2-[(4-fluorophenyl)methyl-methylamino]propanoic acid is CC(C(=O)O)N(C)Cc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl-methylamino]propanoic acid?
The InChIKey is MHWAKAIUCQDBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-8(11(14)15)13(2)7-9-3-5-10(12)6-4-9/h3-6,8H,7H2,1-2H3,(H,14,15).
What are the key properties of 2-[(4-fluorophenyl)methyl-methylamino]propanoic acid?
2-[(4-fluorophenyl)methyl-methylamino]propanoic acid has a molecular weight of 211.24 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl-methylamino]propanoic acid is sourced from PubChem (CID 61413497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).