2-(2-amino-3,5-difluorophenyl)-4-cyclopentylbutanoic acid

C15H19F2NO2 — CID 106987412

IUPAC2-(2-amino-3,5-difluorophenyl)-4-cyclopentylbutanoic acid
SMILESNc1c(F)cc(F)cc1C(CCC1CCCC1)C(=O)O
InChIInChI=1S/C15H19F2NO2/c16-10-7-12(14(18)13(17)8-10)11(15(19)20)6-5-9-3-1-2-4-9/h7-9,11H,1-6,18H2,(H,19,20)
InChIKeySEHBNCHGOVOCNJ-UHFFFAOYSA-N
MW283.32 g/mol
LogP3.69
Rot. Bonds5

About 2-(2-amino-3,5-difluorophenyl)-4-cyclopentylbutanoic acid

2-(2-amino-3,5-difluorophenyl)-4-cyclopentylbutanoic acid (PubChem CID 106987412) has the molecular formula C15H19F2NO2 and a molecular weight of 283.32 g/mol. Its IUPAC name is 2-(2-amino-3,5-difluorophenyl)-4-cyclopentylbutanoic acid.

Molecular Properties

Compound Name2-(2-amino-3,5-difluorophenyl)-4-cyclopentylbutanoic acid
PubChem CID106987412
Molecular FormulaC15H19F2NO2
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name2-(2-amino-3,5-difluorophenyl)-4-cyclopentylbutanoic acid
SMILESNc1c(F)cc(F)cc1C(CCC1CCCC1)C(=O)O
InChIInChI=1S/C15H19F2NO2/c16-10-7-12(14(18)13(17)8-10)11(15(19)20)6-5-9-3-1-2-4-9/h7-9,11H,1-6,18H2,(H,19,20)
InChIKeySEHBNCHGOVOCNJ-UHFFFAOYSA-N
XLogP3.69
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3,5-difluorophenyl)-4-cyclopentylbutanoic acid?
The IUPAC name of 2-(2-amino-3,5-difluorophenyl)-4-cyclopentylbutanoic acid (CID 106987412) is 2-(2-amino-3,5-difluorophenyl)-4-cyclopentylbutanoic acid.
What is the SMILES notation for 2-(2-amino-3,5-difluorophenyl)-4-cyclopentylbutanoic acid?
The canonical SMILES for 2-(2-amino-3,5-difluorophenyl)-4-cyclopentylbutanoic acid is Nc1c(F)cc(F)cc1C(CCC1CCCC1)C(=O)O.
What is the InChIKey of 2-(2-amino-3,5-difluorophenyl)-4-cyclopentylbutanoic acid?
The InChIKey is SEHBNCHGOVOCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO2/c16-10-7-12(14(18)13(17)8-10)11(15(19)20)6-5-9-3-1-2-4-9/h7-9,11H,1-6,18H2,(H,19,20).
What are the key properties of 2-(2-amino-3,5-difluorophenyl)-4-cyclopentylbutanoic acid?
2-(2-amino-3,5-difluorophenyl)-4-cyclopentylbutanoic acid has a molecular weight of 283.32 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3,5-difluorophenyl)-4-cyclopentylbutanoic acid is sourced from PubChem (CID 106987412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).