methyl 2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]acetate

C13H18FNO4 — CID 60649043

IUPACmethyl 2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]acetate
SMILESCOC(=O)CNCC(O)COCc1ccccc1F
InChIInChI=1S/C13H18FNO4/c1-18-13(17)7-15-6-11(16)9-19-8-10-4-2-3-5-12(10)14/h2-5,11,15-16H,6-9H2,1H3
InChIKeyNNMLMYSWYGMZAD-UHFFFAOYSA-N
MW271.29 g/mol
LogP0.47
Rot. Bonds8

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

methyl 2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]acetate (PubChem CID 60649043) has the molecular formula C13H18FNO4 and a molecular weight of 271.29 g/mol. Its IUPAC name is methyl 2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]acetate
PubChem CID60649043
Molecular FormulaC13H18FNO4
Molecular Weight271.29 g/mol
Exact Mass271.12
IUPAC Namemethyl 2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]acetate
SMILESCOC(=O)CNCC(O)COCc1ccccc1F
InChIInChI=1S/C13H18FNO4/c1-18-13(17)7-15-6-11(16)9-19-8-10-4-2-3-5-12(10)14/h2-5,11,15-16H,6-9H2,1H3
InChIKeyNNMLMYSWYGMZAD-UHFFFAOYSA-N
XLogP0.47
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]acetate
CID 60904476
1-[(2-fluorophenyl)methoxy]-3-(propylamino)propan-2-ol
CID 60634200
1-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]-2-methylpropan-2-ol
CID 65107673
1-[(2-fluorophenyl)methoxy]-3-(2,2,2-trifluoroethylamino)propan-2-ol
CID 60632244
1-[(2-fluorophenyl)methoxy]-3-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol
CID 62642322
1-[(2-fluorophenyl)methoxy]-3-(3-methylpentan-3-ylamino)propan-2-ol
CID 103829136
3-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]-3-methylbutanamide
CID 104580081
1-[(2-fluorophenyl)methoxy]-3-(2-methylpentan-3-ylamino)propan-2-ol
CID 61469296
1-(cyclopropylamino)-3-[(2-fluorophenyl)methoxy]propan-2-ol
CID 3604770
1-[(2-fluorophenyl)methoxy]-3-(2-thiophen-2-ylethylamino)propan-2-ol
CID 60897038
methyl 5-[(2-fluorophenyl)methylamino]-4-hydroxypentanoate
CID 115123586
2-ethyl-2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]propane-1,3-diol
CID 4834530

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]acetate?
The IUPAC name of methyl 2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]acetate (CID 60649043) is methyl 2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]acetate.
What is the SMILES notation for methyl 2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]acetate?
The canonical SMILES for methyl 2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]acetate is COC(=O)CNCC(O)COCc1ccccc1F.
What is the InChIKey of methyl 2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]acetate?
The InChIKey is NNMLMYSWYGMZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO4/c1-18-13(17)7-15-6-11(16)9-19-8-10-4-2-3-5-12(10)14/h2-5,11,15-16H,6-9H2,1H3.
What are the key properties of methyl 2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]acetate?
methyl 2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]acetate has a molecular weight of 271.29 g/mol, XLogP of 0.47, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]acetate is sourced from PubChem (CID 60649043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).