methyl (2R)-3-(dibenzylamino)-2-fluoropropanoate

C18H20FNO2 — CID 11688055

IUPACmethyl (2R)-3-(dibenzylamino)-2-fluoropropanoate
SMILESCOC(=O)[C@H](F)CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H20FNO2/c1-22-18(21)17(19)14-20(12-15-8-4-2-5-9-15)13-16-10-6-3-7-11-16/h2-11,17H,12-14H2,1H3/t17-/m1/s1
InChIKeyOBKSTEOVEUUBBH-QGZVFWFLSA-N
MW301.36 g/mol
LogP3.20
Rot. Bonds7

About methyl (2R)-3-(dibenzylamino)-2-fluoropropanoate

methyl (2R)-3-(dibenzylamino)-2-fluoropropanoate (PubChem CID 11688055) has the molecular formula C18H20FNO2 and a molecular weight of 301.36 g/mol. Its IUPAC name is methyl (2R)-3-(dibenzylamino)-2-fluoropropanoate.

Molecular Properties

Compound Namemethyl (2R)-3-(dibenzylamino)-2-fluoropropanoate
PubChem CID11688055
Molecular FormulaC18H20FNO2
Molecular Weight301.36 g/mol
Exact Mass301.15
IUPAC Namemethyl (2R)-3-(dibenzylamino)-2-fluoropropanoate
SMILESCOC(=O)[C@H](F)CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H20FNO2/c1-22-18(21)17(19)14-20(12-15-8-4-2-5-9-15)13-16-10-6-3-7-11-16/h2-11,17H,12-14H2,1H3/t17-/m1/s1
InChIKeyOBKSTEOVEUUBBH-QGZVFWFLSA-N
XLogP3.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-3-(dibenzylamino)-2-fluoropropanoate?
The IUPAC name of methyl (2R)-3-(dibenzylamino)-2-fluoropropanoate (CID 11688055) is methyl (2R)-3-(dibenzylamino)-2-fluoropropanoate.
What is the SMILES notation for methyl (2R)-3-(dibenzylamino)-2-fluoropropanoate?
The canonical SMILES for methyl (2R)-3-(dibenzylamino)-2-fluoropropanoate is COC(=O)[C@H](F)CN(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of methyl (2R)-3-(dibenzylamino)-2-fluoropropanoate?
The InChIKey is OBKSTEOVEUUBBH-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H20FNO2/c1-22-18(21)17(19)14-20(12-15-8-4-2-5-9-15)13-16-10-6-3-7-11-16/h2-11,17H,12-14H2,1H3/t17-/m1/s1.
What are the key properties of methyl (2R)-3-(dibenzylamino)-2-fluoropropanoate?
methyl (2R)-3-(dibenzylamino)-2-fluoropropanoate has a molecular weight of 301.36 g/mol, XLogP of 3.20, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-3-(dibenzylamino)-2-fluoropropanoate is sourced from PubChem (CID 11688055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).