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

C14H20FNO3 — CID 115123638

IUPACmethyl 5-[2-(2-fluorophenyl)ethylamino]-4-hydroxypentanoate
SMILESCOC(=O)CCC(O)CNCCc1ccccc1F
InChIInChI=1S/C14H20FNO3/c1-19-14(18)7-6-12(17)10-16-9-8-11-4-2-3-5-13(11)15/h2-5,12,16-17H,6-10H2,1H3
InChIKeyXTTDCNXFDUIAMU-UHFFFAOYSA-N
MW269.32 g/mol
LogP1.27
Rot. Bonds8

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

methyl 5-[2-(2-fluorophenyl)ethylamino]-4-hydroxypentanoate (PubChem CID 115123638) has the molecular formula C14H20FNO3 and a molecular weight of 269.32 g/mol. Its IUPAC name is methyl 5-[2-(2-fluorophenyl)ethylamino]-4-hydroxypentanoate.

Molecular Properties

Compound Namemethyl 5-[2-(2-fluorophenyl)ethylamino]-4-hydroxypentanoate
PubChem CID115123638
Molecular FormulaC14H20FNO3
Molecular Weight269.32 g/mol
Exact Mass269.14
IUPAC Namemethyl 5-[2-(2-fluorophenyl)ethylamino]-4-hydroxypentanoate
SMILESCOC(=O)CCC(O)CNCCc1ccccc1F
InChIInChI=1S/C14H20FNO3/c1-19-14(18)7-6-12(17)10-16-9-8-11-4-2-3-5-13(11)15/h2-5,12,16-17H,6-10H2,1H3
InChIKeyXTTDCNXFDUIAMU-UHFFFAOYSA-N
XLogP1.27
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(4S,5S)-5-acetamido-6-(3-fluorophenyl)-4-hydroxyhexanoic acid
CID 134832356
Ethyl 5-{[(4-fluorophenyl)methyl]amino}pentanoate
CID 4164979
methyl (2S,4R)-1-[4-(3-fluorophenyl)butan-2-yl]-4-hydroxypyrrolidine-2-carboxylate
CID 75502568
2-[1-(2-Fluorophenyl)propan-2-ylamino]pentanoic acid
CID 67547113
methyl 7-[[(2R,3S)-3-amino-4-(3,5-difluorophenyl)-2-hydroxybutyl]amino]heptanoate
CID 68608105
Ethyl 2-[[2-(4-fluorophenyl)ethylamino]methyl]cyclopropane-1-carboxylate
CID 69112437
2-[2-(2,3-Difluorophenyl)ethylamino]pentanoic acid
CID 69141762
(2S)-2-[2-(2,3-difluorophenyl)ethylamino]pentanoic acid
CID 69141763
2-(Benzylamino)-5,5,5-trifluoro-4-methoxypentanoic acid
CID 129050813
Methyl 5-[3-(2,6-difluorophenyl)propylamino]pentanoate
CID 131988484
Methyl 5-[3-(3-fluorophenyl)propylamino]pentanoate
CID 131988522
Methyl 5-[3-(2,4-difluorophenyl)propylamino]pentanoate
CID 131988535

Frequently Asked Questions

What is the IUPAC name of methyl 5-[2-(2-fluorophenyl)ethylamino]-4-hydroxypentanoate?
The IUPAC name of methyl 5-[2-(2-fluorophenyl)ethylamino]-4-hydroxypentanoate (CID 115123638) is methyl 5-[2-(2-fluorophenyl)ethylamino]-4-hydroxypentanoate.
What is the SMILES notation for methyl 5-[2-(2-fluorophenyl)ethylamino]-4-hydroxypentanoate?
The canonical SMILES for methyl 5-[2-(2-fluorophenyl)ethylamino]-4-hydroxypentanoate is COC(=O)CCC(O)CNCCc1ccccc1F.
What is the InChIKey of methyl 5-[2-(2-fluorophenyl)ethylamino]-4-hydroxypentanoate?
The InChIKey is XTTDCNXFDUIAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3/c1-19-14(18)7-6-12(17)10-16-9-8-11-4-2-3-5-13(11)15/h2-5,12,16-17H,6-10H2,1H3.
What are the key properties of methyl 5-[2-(2-fluorophenyl)ethylamino]-4-hydroxypentanoate?
methyl 5-[2-(2-fluorophenyl)ethylamino]-4-hydroxypentanoate has a molecular weight of 269.32 g/mol, XLogP of 1.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[2-(2-fluorophenyl)ethylamino]-4-hydroxypentanoate is sourced from PubChem (CID 115123638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).