methyl 2-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]acetate

C12H16FNO4 — CID 60904476

IUPACmethyl 2-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]acetate
SMILESCOC(=O)CNCC(O)COc1ccccc1F
InChIInChI=1S/C12H16FNO4/c1-17-12(16)7-14-6-9(15)8-18-11-5-3-2-4-10(11)13/h2-5,9,14-15H,6-8H2,1H3
InChIKeyCEOOTTWWCBFTOC-UHFFFAOYSA-N
MW257.26 g/mol
LogP0.33
Rot. Bonds7

About methyl 2-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]acetate

methyl 2-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]acetate (PubChem CID 60904476) has the molecular formula C12H16FNO4 and a molecular weight of 257.26 g/mol. Its IUPAC name is methyl 2-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]acetate
PubChem CID60904476
Molecular FormulaC12H16FNO4
Molecular Weight257.26 g/mol
Exact Mass257.11
IUPAC Namemethyl 2-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]acetate
SMILESCOC(=O)CNCC(O)COc1ccccc1F
InChIInChI=1S/C12H16FNO4/c1-17-12(16)7-14-6-9(15)8-18-11-5-3-2-4-10(11)13/h2-5,9,14-15H,6-8H2,1H3
InChIKeyCEOOTTWWCBFTOC-UHFFFAOYSA-N
XLogP0.33
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]propanoate
CID 54935588
methyl 2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]acetate
CID 60904479
1-(2-fluorophenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635222
methyl 2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]acetate
CID 60649043
1-(2,3-dimethylbutylamino)-3-(2-fluorophenoxy)propan-2-ol
CID 64569714
1-(2-bromoprop-2-enylamino)-3-(2-fluorophenoxy)propan-2-ol
CID 113465059
4-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]butan-2-ol
CID 64910592
methyl 2-[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]acetate
CID 60649077
4-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]butanamide
CID 54937821
methyl 2-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]-3-methylbutanoate
CID 60910141
1-(2,2-dimethylbutylamino)-3-(2-fluorophenoxy)propan-2-ol
CID 103461242
methyl 2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]acetate
CID 60904602

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]acetate?
The IUPAC name of methyl 2-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]acetate (CID 60904476) is methyl 2-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]acetate.
What is the SMILES notation for methyl 2-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]acetate?
The canonical SMILES for methyl 2-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]acetate is COC(=O)CNCC(O)COc1ccccc1F.
What is the InChIKey of methyl 2-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]acetate?
The InChIKey is CEOOTTWWCBFTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO4/c1-17-12(16)7-14-6-9(15)8-18-11-5-3-2-4-10(11)13/h2-5,9,14-15H,6-8H2,1H3.
What are the key properties of methyl 2-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]acetate?
methyl 2-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]acetate has a molecular weight of 257.26 g/mol, XLogP of 0.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]acetate is sourced from PubChem (CID 60904476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).