2-[bis(4-fluorophenyl)methylamino]acetic acid

C15H13F2NO2 — CID 10356127

IUPAC2-[bis(4-fluorophenyl)methylamino]acetic acid
SMILESO=C(O)CNC(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C15H13F2NO2/c16-12-5-1-10(2-6-12)15(18-9-14(19)20)11-3-7-13(17)8-4-11/h1-8,15,18H,9H2,(H,19,20)
InChIKeyVYPFKZJVWXLEOB-UHFFFAOYSA-N
MW277.27 g/mol
LogP2.73
Rot. Bonds5

About 2-[bis(4-fluorophenyl)methylamino]acetic acid

2-[bis(4-fluorophenyl)methylamino]acetic acid (PubChem CID 10356127) has the molecular formula C15H13F2NO2 and a molecular weight of 277.27 g/mol. Its IUPAC name is 2-[bis(4-fluorophenyl)methylamino]acetic acid.

Molecular Properties

Compound Name2-[bis(4-fluorophenyl)methylamino]acetic acid
PubChem CID10356127
Molecular FormulaC15H13F2NO2
Molecular Weight277.27 g/mol
Exact Mass277.09
IUPAC Name2-[bis(4-fluorophenyl)methylamino]acetic acid
SMILESO=C(O)CNC(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C15H13F2NO2/c16-12-5-1-10(2-6-12)15(18-9-14(19)20)11-3-7-13(17)8-4-11/h1-8,15,18H,9H2,(H,19,20)
InChIKeyVYPFKZJVWXLEOB-UHFFFAOYSA-N
XLogP2.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Benzylamino)acetic acid
CID 86965
Benzenemethanamine, N-(phenylmethyl)-, acetate (1:1)
CID 174893
2-(Dibenzylamino)acetic acid
CID 174082
N-Benzylglycine Hydrochloride
CID 2756624
Methyl N-(1-phenylethyl)glycinate
CID 4421785
N-benzylalanine
CID 2747688
N-Tritylglycine
CID 248898
2-[1-[3-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]-4-(trifluoromethyl)phenyl]ethylamino]acetic acid
CID 147608106
1-(3-Trifluoromethylphenyl)-2-(2-carboxymethyl)aminopropane
CID 43670
N-(Diphenylmethyl)glycine
CID 218512
N-((1R)-1-Phenylethyl)glycine
CID 28897015
Benzylphenethylammonium acetate
CID 44152400

Frequently Asked Questions

What is the IUPAC name of 2-[bis(4-fluorophenyl)methylamino]acetic acid?
The IUPAC name of 2-[bis(4-fluorophenyl)methylamino]acetic acid (CID 10356127) is 2-[bis(4-fluorophenyl)methylamino]acetic acid.
What is the SMILES notation for 2-[bis(4-fluorophenyl)methylamino]acetic acid?
The canonical SMILES for 2-[bis(4-fluorophenyl)methylamino]acetic acid is O=C(O)CNC(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 2-[bis(4-fluorophenyl)methylamino]acetic acid?
The InChIKey is VYPFKZJVWXLEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO2/c16-12-5-1-10(2-6-12)15(18-9-14(19)20)11-3-7-13(17)8-4-11/h1-8,15,18H,9H2,(H,19,20).
What are the key properties of 2-[bis(4-fluorophenyl)methylamino]acetic acid?
2-[bis(4-fluorophenyl)methylamino]acetic acid has a molecular weight of 277.27 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(4-fluorophenyl)methylamino]acetic acid is sourced from PubChem (CID 10356127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).