2-[(5-cyano-2-fluorophenyl)methyl-methylamino]acetic acid

C11H11FN2O2 — CID 43442256

IUPAC2-[(5-cyano-2-fluorophenyl)methyl-methylamino]acetic acid
SMILESCN(CC(=O)O)Cc1cc(C#N)ccc1F
InChIInChI=1S/C11H11FN2O2/c1-14(7-11(15)16)6-9-4-8(5-13)2-3-10(9)12/h2-4H,6-7H2,1H3,(H,15,16)
InChIKeyLOKONGSZRIDWNS-UHFFFAOYSA-N
MW222.22 g/mol
LogP1.21
Rot. Bonds4

About 2-[(5-cyano-2-fluorophenyl)methyl-methylamino]acetic acid

2-[(5-cyano-2-fluorophenyl)methyl-methylamino]acetic acid (PubChem CID 43442256) has the molecular formula C11H11FN2O2 and a molecular weight of 222.22 g/mol. Its IUPAC name is 2-[(5-cyano-2-fluorophenyl)methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(5-cyano-2-fluorophenyl)methyl-methylamino]acetic acid
PubChem CID43442256
Molecular FormulaC11H11FN2O2
Molecular Weight222.22 g/mol
Exact Mass222.08
IUPAC Name2-[(5-cyano-2-fluorophenyl)methyl-methylamino]acetic acid
SMILESCN(CC(=O)O)Cc1cc(C#N)ccc1F
InChIInChI=1S/C11H11FN2O2/c1-14(7-11(15)16)6-9-4-8(5-13)2-3-10(9)12/h2-4H,6-7H2,1H3,(H,15,16)
InChIKeyLOKONGSZRIDWNS-UHFFFAOYSA-N
XLogP1.21
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(5-cyano-2-fluorophenyl)methyl-methylamino]acetic 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

4-fluoro-3-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]benzonitrile
CID 78927342
2-[(5-cyano-2-fluorophenyl)methyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 17422315
3-[(5-cyano-2-fluorophenyl)methyl-methylsulfamoyl]propanoic acid
CID 60951292
N-(2-bromophenyl)-2-[(5-cyano-2-fluorophenyl)methyl-methylamino]acetamide
CID 24681265
2-[(5-cyano-2-fluorophenyl)methyl-methylamino]-N-(3,4-dichlorophenyl)acetamide
CID 18131356
4-[(4-cyano-2-fluorophenyl)methyl-methylamino]butanoic acid
CID 55006024
3-[[(4-chlorophenyl)methyl-methylamino]methyl]-4-fluorobenzonitrile
CID 60703913
N-(5-chloro-2-methoxyphenyl)-2-[(5-cyano-2-fluorophenyl)methyl-methylamino]acetamide
CID 33083968
N-[(5-cyano-2-fluorophenyl)methyl]-N-methylbut-2-enamide
CID 112727359
4-[(5-cyano-2-fluorophenyl)methyl-methylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302758
3-[[(4-bromophenyl)methyl-methylamino]methyl]-4-fluorobenzonitrile
CID 18154389
2-[(3-cyano-2-fluorophenyl)methyl-methylamino]acetic acid
CID 107118765

Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyano-2-fluorophenyl)methyl-methylamino]acetic acid?
The IUPAC name of 2-[(5-cyano-2-fluorophenyl)methyl-methylamino]acetic acid (CID 43442256) is 2-[(5-cyano-2-fluorophenyl)methyl-methylamino]acetic acid.
What is the SMILES notation for 2-[(5-cyano-2-fluorophenyl)methyl-methylamino]acetic acid?
The canonical SMILES for 2-[(5-cyano-2-fluorophenyl)methyl-methylamino]acetic acid is CN(CC(=O)O)Cc1cc(C#N)ccc1F.
What is the InChIKey of 2-[(5-cyano-2-fluorophenyl)methyl-methylamino]acetic acid?
The InChIKey is LOKONGSZRIDWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2/c1-14(7-11(15)16)6-9-4-8(5-13)2-3-10(9)12/h2-4H,6-7H2,1H3,(H,15,16).
What are the key properties of 2-[(5-cyano-2-fluorophenyl)methyl-methylamino]acetic acid?
2-[(5-cyano-2-fluorophenyl)methyl-methylamino]acetic acid has a molecular weight of 222.22 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyano-2-fluorophenyl)methyl-methylamino]acetic acid is sourced from PubChem (CID 43442256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).