methyl 2-amino-5-(2,6-difluorophenyl)pentanoate

C12H15F2NO2 — CID 102346126

IUPACmethyl 2-amino-5-(2,6-difluorophenyl)pentanoate
SMILESCOC(=O)C(N)CCCc1c(F)cccc1F
InChIInChI=1S/C12H15F2NO2/c1-17-12(16)11(15)7-2-4-8-9(13)5-3-6-10(8)14/h3,5-6,11H,2,4,7,15H2,1H3
InChIKeyMJYHSQNJOOICJK-UHFFFAOYSA-N
MW243.25 g/mol
LogP1.79
Rot. Bonds5

About methyl 2-amino-5-(2,6-difluorophenyl)pentanoate

methyl 2-amino-5-(2,6-difluorophenyl)pentanoate (PubChem CID 102346126) has the molecular formula C12H15F2NO2 and a molecular weight of 243.25 g/mol. Its IUPAC name is methyl 2-amino-5-(2,6-difluorophenyl)pentanoate.

Molecular Properties

Compound Namemethyl 2-amino-5-(2,6-difluorophenyl)pentanoate
PubChem CID102346126
Molecular FormulaC12H15F2NO2
Molecular Weight243.25 g/mol
Exact Mass243.11
IUPAC Namemethyl 2-amino-5-(2,6-difluorophenyl)pentanoate
SMILESCOC(=O)C(N)CCCc1c(F)cccc1F
InChIInChI=1S/C12H15F2NO2/c1-17-12(16)11(15)7-2-4-8-9(13)5-3-6-10(8)14/h3,5-6,11H,2,4,7,15H2,1H3
InChIKeyMJYHSQNJOOICJK-UHFFFAOYSA-N
XLogP1.79
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-amino-5-(2,6-difluorophenyl)pentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-(2,6-difluorophenyl)pentanoate?
The IUPAC name of methyl 2-amino-5-(2,6-difluorophenyl)pentanoate (CID 102346126) is methyl 2-amino-5-(2,6-difluorophenyl)pentanoate.
What is the SMILES notation for methyl 2-amino-5-(2,6-difluorophenyl)pentanoate?
The canonical SMILES for methyl 2-amino-5-(2,6-difluorophenyl)pentanoate is COC(=O)C(N)CCCc1c(F)cccc1F.
What is the InChIKey of methyl 2-amino-5-(2,6-difluorophenyl)pentanoate?
The InChIKey is MJYHSQNJOOICJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO2/c1-17-12(16)11(15)7-2-4-8-9(13)5-3-6-10(8)14/h3,5-6,11H,2,4,7,15H2,1H3.
What are the key properties of methyl 2-amino-5-(2,6-difluorophenyl)pentanoate?
methyl 2-amino-5-(2,6-difluorophenyl)pentanoate has a molecular weight of 243.25 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-(2,6-difluorophenyl)pentanoate is sourced from PubChem (CID 102346126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).