methyl 5-[(2-fluorophenyl)methylamino]-4-hydroxypentanoate

C13H18FNO3 — CID 115123586

IUPACmethyl 5-[(2-fluorophenyl)methylamino]-4-hydroxypentanoate
SMILESCOC(=O)CCC(O)CNCc1ccccc1F
InChIInChI=1S/C13H18FNO3/c1-18-13(17)7-6-11(16)9-15-8-10-4-2-3-5-12(10)14/h2-5,11,15-16H,6-9H2,1H3
InChIKeyUHNGJEUDPLCGCJ-UHFFFAOYSA-N
MW255.29 g/mol
LogP1.23
Rot. Bonds7

About methyl 5-[(2-fluorophenyl)methylamino]-4-hydroxypentanoate

methyl 5-[(2-fluorophenyl)methylamino]-4-hydroxypentanoate (PubChem CID 115123586) has the molecular formula C13H18FNO3 and a molecular weight of 255.29 g/mol. Its IUPAC name is methyl 5-[(2-fluorophenyl)methylamino]-4-hydroxypentanoate.

Molecular Properties

Compound Namemethyl 5-[(2-fluorophenyl)methylamino]-4-hydroxypentanoate
PubChem CID115123586
Molecular FormulaC13H18FNO3
Molecular Weight255.29 g/mol
Exact Mass255.13
IUPAC Namemethyl 5-[(2-fluorophenyl)methylamino]-4-hydroxypentanoate
SMILESCOC(=O)CCC(O)CNCc1ccccc1F
InChIInChI=1S/C13H18FNO3/c1-18-13(17)7-6-11(16)9-15-8-10-4-2-3-5-12(10)14/h2-5,11,15-16H,6-9H2,1H3
InChIKeyUHNGJEUDPLCGCJ-UHFFFAOYSA-N
XLogP1.23
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-fluorophenyl)methylamino]propane-1,2-diol
CID 56986233
1-[(2-fluorophenyl)methylamino]-4-methylpentan-2-ol
CID 103631775
1-[(2-fluorophenyl)methylamino]hex-5-en-2-ol
CID 122660658
methyl 2-chloro-3-[(2-fluorophenyl)methylamino]propanoate
CID 103491904
methyl 4-[(2-fluorophenyl)methyl]hexanoate
CID 174497921
methyl 4-hydroxy-5-[(3-methoxyphenyl)methylamino]pentanoate
CID 115123590
methyl 2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]acetate
CID 60649043
1-(diethylamino)-3-[(2-fluorophenyl)methylamino]propan-2-ol
CID 60710845
1-[(2-fluorophenyl)methylamino]-3-methylbutan-2-ol
CID 111421975
1-(4-chlorophenoxy)-3-[(2-fluorophenyl)methylamino]propan-2-ol
CID 60632821
methyl 3-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]propanoate
CID 54935588
methyl 2-[2-[(2,2-difluoroethylamino)methyl]phenyl]acetate
CID 115462288

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2-fluorophenyl)methylamino]-4-hydroxypentanoate?
The IUPAC name of methyl 5-[(2-fluorophenyl)methylamino]-4-hydroxypentanoate (CID 115123586) is methyl 5-[(2-fluorophenyl)methylamino]-4-hydroxypentanoate.
What is the SMILES notation for methyl 5-[(2-fluorophenyl)methylamino]-4-hydroxypentanoate?
The canonical SMILES for methyl 5-[(2-fluorophenyl)methylamino]-4-hydroxypentanoate is COC(=O)CCC(O)CNCc1ccccc1F.
What is the InChIKey of methyl 5-[(2-fluorophenyl)methylamino]-4-hydroxypentanoate?
The InChIKey is UHNGJEUDPLCGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3/c1-18-13(17)7-6-11(16)9-15-8-10-4-2-3-5-12(10)14/h2-5,11,15-16H,6-9H2,1H3.
What are the key properties of methyl 5-[(2-fluorophenyl)methylamino]-4-hydroxypentanoate?
methyl 5-[(2-fluorophenyl)methylamino]-4-hydroxypentanoate has a molecular weight of 255.29 g/mol, XLogP of 1.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2-fluorophenyl)methylamino]-4-hydroxypentanoate is sourced from PubChem (CID 115123586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).