2-(aminomethyl)-3-cyclopentyl-2-(3-fluorophenyl)propanoic acid

C15H20FNO2 — CID 106490422

IUPAC2-(aminomethyl)-3-cyclopentyl-2-(3-fluorophenyl)propanoic acid
SMILESNCC(CC1CCCC1)(C(=O)O)c1cccc(F)c1
InChIInChI=1S/C15H20FNO2/c16-13-7-3-6-12(8-13)15(10-17,14(18)19)9-11-4-1-2-5-11/h3,6-8,11H,1-2,4-5,9-10,17H2,(H,18,19)
InChIKeyWFDAOKXQWHIDMI-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.69
Rot. Bonds5

About 2-(aminomethyl)-3-cyclopentyl-2-(3-fluorophenyl)propanoic acid

2-(aminomethyl)-3-cyclopentyl-2-(3-fluorophenyl)propanoic acid (PubChem CID 106490422) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 2-(aminomethyl)-3-cyclopentyl-2-(3-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-3-cyclopentyl-2-(3-fluorophenyl)propanoic acid
PubChem CID106490422
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name2-(aminomethyl)-3-cyclopentyl-2-(3-fluorophenyl)propanoic acid
SMILESNCC(CC1CCCC1)(C(=O)O)c1cccc(F)c1
InChIInChI=1S/C15H20FNO2/c16-13-7-3-6-12(8-13)15(10-17,14(18)19)9-11-4-1-2-5-11/h3,6-8,11H,1-2,4-5,9-10,17H2,(H,18,19)
InChIKeyWFDAOKXQWHIDMI-UHFFFAOYSA-N
XLogP2.69
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-(aminomethyl)-3-cyclopentyl-2-(3-fluorophenyl)propanoate
CID 106490266
ethyl 2-(aminomethyl)-3-cyclobutyl-2-(3-fluorophenyl)propanoate
CID 106490301
2-(aminomethyl)-2-(3-fluorophenyl)-5,5-dimethylhexanoic acid
CID 106490409
2-(aminomethyl)-3-ethoxy-2-(3-fluorophenyl)propanoic acid
CID 106490477
2-(aminomethyl)-2-(3-fluorophenyl)-5-methylsulfanylpentanoic acid
CID 106490428
ethyl 2-(aminomethyl)-4-cyclopropyl-2-(3-fluorophenyl)butanoate
CID 106490280
2-cyclopropyl-2-(3-fluorophenyl)propanoic acid
CID 83834060
2-(aminomethyl)-2-(4-fluorophenyl)-3-(oxolan-3-yl)propanoic acid
CID 106490902
methyl 3-amino-2-cyclopropyl-2-(3-fluorophenyl)propanoate
CID 106509500
2,3-difluoro-2-(3-fluorophenyl)propanoic acid
CID 175420494
3-cyclopentyl-2-fluoro-2-phenylpropan-1-amine
CID 112566200
ethyl 2-(aminomethyl)-3-cyclopropyl-2-(3,5-difluorophenyl)propanoate
CID 106490318

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-cyclopentyl-2-(3-fluorophenyl)propanoic acid?
The IUPAC name of 2-(aminomethyl)-3-cyclopentyl-2-(3-fluorophenyl)propanoic acid (CID 106490422) is 2-(aminomethyl)-3-cyclopentyl-2-(3-fluorophenyl)propanoic acid.
What is the SMILES notation for 2-(aminomethyl)-3-cyclopentyl-2-(3-fluorophenyl)propanoic acid?
The canonical SMILES for 2-(aminomethyl)-3-cyclopentyl-2-(3-fluorophenyl)propanoic acid is NCC(CC1CCCC1)(C(=O)O)c1cccc(F)c1.
What is the InChIKey of 2-(aminomethyl)-3-cyclopentyl-2-(3-fluorophenyl)propanoic acid?
The InChIKey is WFDAOKXQWHIDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c16-13-7-3-6-12(8-13)15(10-17,14(18)19)9-11-4-1-2-5-11/h3,6-8,11H,1-2,4-5,9-10,17H2,(H,18,19).
What are the key properties of 2-(aminomethyl)-3-cyclopentyl-2-(3-fluorophenyl)propanoic acid?
2-(aminomethyl)-3-cyclopentyl-2-(3-fluorophenyl)propanoic acid has a molecular weight of 265.33 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-cyclopentyl-2-(3-fluorophenyl)propanoic acid is sourced from PubChem (CID 106490422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).