methyl 2-amino-4-(2,5-difluorophenoxy)butanoate

C11H13F2NO3 — CID 63273139

IUPACmethyl 2-amino-4-(2,5-difluorophenoxy)butanoate
SMILESCOC(=O)C(N)CCOc1cc(F)ccc1F
InChIInChI=1S/C11H13F2NO3/c1-16-11(15)9(14)4-5-17-10-6-7(12)2-3-8(10)13/h2-3,6,9H,4-5,14H2,1H3
InChIKeySUFCPAMTZUOVBG-UHFFFAOYSA-N
MW245.22 g/mol
LogP1.23
Rot. Bonds5

About methyl 2-amino-4-(2,5-difluorophenoxy)butanoate

methyl 2-amino-4-(2,5-difluorophenoxy)butanoate (PubChem CID 63273139) has the molecular formula C11H13F2NO3 and a molecular weight of 245.22 g/mol. Its IUPAC name is methyl 2-amino-4-(2,5-difluorophenoxy)butanoate.

Molecular Properties

Compound Namemethyl 2-amino-4-(2,5-difluorophenoxy)butanoate
PubChem CID63273139
Molecular FormulaC11H13F2NO3
Molecular Weight245.22 g/mol
Exact Mass245.09
IUPAC Namemethyl 2-amino-4-(2,5-difluorophenoxy)butanoate
SMILESCOC(=O)C(N)CCOc1cc(F)ccc1F
InChIInChI=1S/C11H13F2NO3/c1-16-11(15)9(14)4-5-17-10-6-7(12)2-3-8(10)13/h2-3,6,9H,4-5,14H2,1H3
InChIKeySUFCPAMTZUOVBG-UHFFFAOYSA-N
XLogP1.23
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.22
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(2,5-difluorophenoxy)-2-(methylamino)butanoate
CID 63269811
methyl 2-amino-4-(2-fluoro-3-methylphenoxy)butanoate
CID 107660515
4-(2,5-difluorophenoxy)-2-(propan-2-ylamino)butanoic acid
CID 63273100
4-(2,5-difluorophenoxy)-2-(ethylamino)butanamide
CID 63269722
2-amino-4-(2,4-difluorophenoxy)butanamide
CID 63038942
methyl 2-amino-4-(2,5-dimethylphenoxy)butanoate
CID 63040839
methyl 2-amino-4-(2,5-difluorophenyl)sulfanylbutanoate
CID 63034697
methyl 4-(2,4-difluorophenoxy)-2-(methylamino)butanoate
CID 63039133
(2S)-2-amino-4-(4-fluoro-2-methylphenoxy)butanoic acid
CID 58987438
ethyl 3-(2,5-difluorophenoxy)propanoate
CID 63268646
4-(2,5-difluorophenoxy)-2-(propan-2-ylamino)butan-1-ol
CID 64809311
6-(2,5-difluorophenoxy)hexan-3-ol
CID 106802707

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-(2,5-difluorophenoxy)butanoate?
The IUPAC name of methyl 2-amino-4-(2,5-difluorophenoxy)butanoate (CID 63273139) is methyl 2-amino-4-(2,5-difluorophenoxy)butanoate.
What is the SMILES notation for methyl 2-amino-4-(2,5-difluorophenoxy)butanoate?
The canonical SMILES for methyl 2-amino-4-(2,5-difluorophenoxy)butanoate is COC(=O)C(N)CCOc1cc(F)ccc1F.
What is the InChIKey of methyl 2-amino-4-(2,5-difluorophenoxy)butanoate?
The InChIKey is SUFCPAMTZUOVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO3/c1-16-11(15)9(14)4-5-17-10-6-7(12)2-3-8(10)13/h2-3,6,9H,4-5,14H2,1H3.
What are the key properties of methyl 2-amino-4-(2,5-difluorophenoxy)butanoate?
methyl 2-amino-4-(2,5-difluorophenoxy)butanoate has a molecular weight of 245.22 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-(2,5-difluorophenoxy)butanoate is sourced from PubChem (CID 63273139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).