methyl 2-amino-4-(2-fluorophenyl)butanoate

C11H14FNO2 — CID 116851530

IUPACmethyl 2-amino-4-(2-fluorophenyl)butanoate
SMILESCOC(=O)C(N)CCc1ccccc1F
InChIInChI=1S/C11H14FNO2/c1-15-11(14)10(13)7-6-8-4-2-3-5-9(8)12/h2-5,10H,6-7,13H2,1H3
InChIKeyNKGZLMBNEFWEMG-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.26
Rot. Bonds4

About methyl 2-amino-4-(2-fluorophenyl)butanoate

methyl 2-amino-4-(2-fluorophenyl)butanoate (PubChem CID 116851530) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is methyl 2-amino-4-(2-fluorophenyl)butanoate.

Molecular Properties

Compound Namemethyl 2-amino-4-(2-fluorophenyl)butanoate
PubChem CID116851530
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Namemethyl 2-amino-4-(2-fluorophenyl)butanoate
SMILESCOC(=O)C(N)CCc1ccccc1F
InChIInChI=1S/C11H14FNO2/c1-15-11(14)10(13)7-6-8-4-2-3-5-9(8)12/h2-5,10H,6-7,13H2,1H3
InChIKeyNKGZLMBNEFWEMG-UHFFFAOYSA-N
XLogP1.26
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-(2-fluorophenyl)butanoate?
The IUPAC name of methyl 2-amino-4-(2-fluorophenyl)butanoate (CID 116851530) is methyl 2-amino-4-(2-fluorophenyl)butanoate.
What is the SMILES notation for methyl 2-amino-4-(2-fluorophenyl)butanoate?
The canonical SMILES for methyl 2-amino-4-(2-fluorophenyl)butanoate is COC(=O)C(N)CCc1ccccc1F.
What is the InChIKey of methyl 2-amino-4-(2-fluorophenyl)butanoate?
The InChIKey is NKGZLMBNEFWEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-15-11(14)10(13)7-6-8-4-2-3-5-9(8)12/h2-5,10H,6-7,13H2,1H3.
What are the key properties of methyl 2-amino-4-(2-fluorophenyl)butanoate?
methyl 2-amino-4-(2-fluorophenyl)butanoate has a molecular weight of 211.24 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-(2-fluorophenyl)butanoate is sourced from PubChem (CID 116851530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).