methyl 5-[3-(3-fluorophenyl)propylamino]pentanoate

C15H22FNO2 — CID 131988522

IUPACmethyl 5-[3-(3-fluorophenyl)propylamino]pentanoate
SMILESCOC(=O)CCCCNCCCc1cccc(F)c1
InChIInChI=1S/C15H22FNO2/c1-19-15(18)9-2-3-10-17-11-5-7-13-6-4-8-14(16)12-13/h4,6,8,12,17H,2-3,5,7,9-11H2,1H3
InChIKeyVVYKWQWGYXBXAZ-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.69
Rot. Bonds9

About methyl 5-[3-(3-fluorophenyl)propylamino]pentanoate

methyl 5-[3-(3-fluorophenyl)propylamino]pentanoate (PubChem CID 131988522) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is methyl 5-[3-(3-fluorophenyl)propylamino]pentanoate.

Molecular Properties

Compound Namemethyl 5-[3-(3-fluorophenyl)propylamino]pentanoate
PubChem CID131988522
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Namemethyl 5-[3-(3-fluorophenyl)propylamino]pentanoate
SMILESCOC(=O)CCCCNCCCc1cccc(F)c1
InChIInChI=1S/C15H22FNO2/c1-19-15(18)9-2-3-10-17-11-5-7-13-6-4-8-14(16)12-13/h4,6,8,12,17H,2-3,5,7,9-11H2,1H3
InChIKeyVVYKWQWGYXBXAZ-UHFFFAOYSA-N
XLogP2.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[3-(3-fluorophenyl)propylamino]pentanoate?
The IUPAC name of methyl 5-[3-(3-fluorophenyl)propylamino]pentanoate (CID 131988522) is methyl 5-[3-(3-fluorophenyl)propylamino]pentanoate.
What is the SMILES notation for methyl 5-[3-(3-fluorophenyl)propylamino]pentanoate?
The canonical SMILES for methyl 5-[3-(3-fluorophenyl)propylamino]pentanoate is COC(=O)CCCCNCCCc1cccc(F)c1.
What is the InChIKey of methyl 5-[3-(3-fluorophenyl)propylamino]pentanoate?
The InChIKey is VVYKWQWGYXBXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-19-15(18)9-2-3-10-17-11-5-7-13-6-4-8-14(16)12-13/h4,6,8,12,17H,2-3,5,7,9-11H2,1H3.
What are the key properties of methyl 5-[3-(3-fluorophenyl)propylamino]pentanoate?
methyl 5-[3-(3-fluorophenyl)propylamino]pentanoate has a molecular weight of 267.34 g/mol, XLogP of 2.69, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[3-(3-fluorophenyl)propylamino]pentanoate is sourced from PubChem (CID 131988522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).