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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Related Compounds

2-(2-amino-3,5-dichlorophenyl)-4-cyclopentylbutanoic acid
CID 106987408
(2R)-2-amino-2-(2-amino-3,5-difluorophenyl)acetic acid
CID 130632470
[3-cyclohexyl-1-(2,4,6-trifluorophenyl)propyl]hydrazine
CID 114193435
1-N-(3-cyclopentylpropyl)-3,5-difluorobenzene-1,2-diamine
CID 114136547
methyl 2-(2-amino-3,5-difluorophenyl)butanoate
CID 106987849
1-(2-amino-5-fluorophenyl)-3-cyclohexylpropan-1-ol
CID 114192030
3-cyclohexyl-1-(2,4-difluorophenyl)propan-1-ol
CID 61088667
2-(2-cyclopentylethyl)propanedioic acid
CID 23186368
N-(2-amino-4,6-difluorophenyl)-3-cyclopentylpropanamide
CID 81314780
5-cyclohexyl-2-(2-cyclohexylethyl)pentanoic acid
CID 22665106
2-(2-amino-5-tert-butylphenyl)-3-cyclopentylpropanoic acid
CID 106988076
2-amino-4-cyclohexylbutanoic acid;2,2,2-trifluoroacetic acid
CID 70021920

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).