methyl 3-amino-2-(4-fluorophenyl)-2-methylpropanoate

C11H14FNO2 — CID 86811738

IUPACmethyl 3-amino-2-(4-fluorophenyl)-2-methylpropanoate
SMILESCOC(=O)C(C)(CN)c1ccc(F)cc1
InChIInChI=1S/C11H14FNO2/c1-11(7-13,10(14)15-2)8-3-5-9(12)6-4-8/h3-6H,7,13H2,1-2H3
InChIKeyBXMAZMPTTPAMES-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.22
Rot. Bonds3

About methyl 3-amino-2-(4-fluorophenyl)-2-methylpropanoate

methyl 3-amino-2-(4-fluorophenyl)-2-methylpropanoate (PubChem CID 86811738) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is methyl 3-amino-2-(4-fluorophenyl)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-amino-2-(4-fluorophenyl)-2-methylpropanoate
PubChem CID86811738
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Namemethyl 3-amino-2-(4-fluorophenyl)-2-methylpropanoate
SMILESCOC(=O)C(C)(CN)c1ccc(F)cc1
InChIInChI=1S/C11H14FNO2/c1-11(7-13,10(14)15-2)8-3-5-9(12)6-4-8/h3-6H,7,13H2,1-2H3
InChIKeyBXMAZMPTTPAMES-UHFFFAOYSA-N
XLogP1.22
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(aminomethyl)-2-(4-fluorophenyl)-5-hydroxy-5-methylhexanoate
CID 106490863
methyl 2-(aminomethyl)-2-(4-fluorophenyl)-4-hydroxypentanoate
CID 106490862
methyl 2-(aminomethyl)-2-(4-fluorophenyl)nonanoate
CID 106490831
methyl 2-(aminomethyl)-4-butoxy-2-(4-fluorophenyl)butanoate
CID 106490844
methyl 2-amino-3-fluoro-2-(4-fluorophenyl)butanoate
CID 105486322
methyl 2-(4-bromophenyl)-3-hydroxy-2-methylpropanoate
CID 15881479
4-amino-N-[2-(4-fluorophenyl)-2-methylpropyl]-3-methoxybutanamide
CID 120591741
methyl 2-methyl-2-phenylbutanoate
CID 562613
methyl 2-amino-3-(3-fluorophenyl)-2,3-dimethylbutanoate
CID 115043081
methyl 2-(4-fluoroanilino)-2-(4-methylphenyl)propanoate
CID 60992217
2-(4-fluorophenyl)propane-1,2-diamine
CID 116855534
methyl 2-(aminomethyl)-3-(2,6-difluorophenyl)-2-methylpropanoate
CID 106487932

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-2-(4-fluorophenyl)-2-methylpropanoate?
The IUPAC name of methyl 3-amino-2-(4-fluorophenyl)-2-methylpropanoate (CID 86811738) is methyl 3-amino-2-(4-fluorophenyl)-2-methylpropanoate.
What is the SMILES notation for methyl 3-amino-2-(4-fluorophenyl)-2-methylpropanoate?
The canonical SMILES for methyl 3-amino-2-(4-fluorophenyl)-2-methylpropanoate is COC(=O)C(C)(CN)c1ccc(F)cc1.
What is the InChIKey of methyl 3-amino-2-(4-fluorophenyl)-2-methylpropanoate?
The InChIKey is BXMAZMPTTPAMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-11(7-13,10(14)15-2)8-3-5-9(12)6-4-8/h3-6H,7,13H2,1-2H3.
What are the key properties of methyl 3-amino-2-(4-fluorophenyl)-2-methylpropanoate?
methyl 3-amino-2-(4-fluorophenyl)-2-methylpropanoate has a molecular weight of 211.24 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-2-(4-fluorophenyl)-2-methylpropanoate is sourced from PubChem (CID 86811738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).