3-(dibenzylamino)-2-fluoropropanoic acid

C17H18FNO2 — CID 22178364

IUPAC3-(dibenzylamino)-2-fluoropropanoic acid
SMILESO=C(O)C(F)CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C17H18FNO2/c18-16(17(20)21)13-19(11-14-7-3-1-4-8-14)12-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,20,21)
InChIKeyAOTXCKTZBUSXFK-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.11
Rot. Bonds7

About 3-(dibenzylamino)-2-fluoropropanoic acid

3-(dibenzylamino)-2-fluoropropanoic acid (PubChem CID 22178364) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is 3-(dibenzylamino)-2-fluoropropanoic acid.

Molecular Properties

Compound Name3-(dibenzylamino)-2-fluoropropanoic acid
PubChem CID22178364
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name3-(dibenzylamino)-2-fluoropropanoic acid
SMILESO=C(O)C(F)CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C17H18FNO2/c18-16(17(20)21)13-19(11-14-7-3-1-4-8-14)12-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,20,21)
InChIKeyAOTXCKTZBUSXFK-UHFFFAOYSA-N
XLogP3.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(dibenzylamino)-2-fluoropropanoic acid?
The IUPAC name of 3-(dibenzylamino)-2-fluoropropanoic acid (CID 22178364) is 3-(dibenzylamino)-2-fluoropropanoic acid.
What is the SMILES notation for 3-(dibenzylamino)-2-fluoropropanoic acid?
The canonical SMILES for 3-(dibenzylamino)-2-fluoropropanoic acid is O=C(O)C(F)CN(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 3-(dibenzylamino)-2-fluoropropanoic acid?
The InChIKey is AOTXCKTZBUSXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c18-16(17(20)21)13-19(11-14-7-3-1-4-8-14)12-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,20,21).
What are the key properties of 3-(dibenzylamino)-2-fluoropropanoic acid?
3-(dibenzylamino)-2-fluoropropanoic acid has a molecular weight of 287.33 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dibenzylamino)-2-fluoropropanoic acid is sourced from PubChem (CID 22178364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).