ethyl 2-(aminomethyl)-3-cyclopentyl-2-(3-fluorophenyl)propanoate

C17H24FNO2 — CID 106490266

IUPACethyl 2-(aminomethyl)-3-cyclopentyl-2-(3-fluorophenyl)propanoate
SMILESCCOC(=O)C(CN)(CC1CCCC1)c1cccc(F)c1
InChIInChI=1S/C17H24FNO2/c1-2-21-16(20)17(12-19,11-13-6-3-4-7-13)14-8-5-9-15(18)10-14/h5,8-10,13H,2-4,6-7,11-12,19H2,1H3
InChIKeyURYPKSRBVOOZLL-UHFFFAOYSA-N
MW293.38 g/mol
LogP3.17
Rot. Bonds6

About ethyl 2-(aminomethyl)-3-cyclopentyl-2-(3-fluorophenyl)propanoate

ethyl 2-(aminomethyl)-3-cyclopentyl-2-(3-fluorophenyl)propanoate (PubChem CID 106490266) has the molecular formula C17H24FNO2 and a molecular weight of 293.38 g/mol. Its IUPAC name is ethyl 2-(aminomethyl)-3-cyclopentyl-2-(3-fluorophenyl)propanoate.

Molecular Properties

Compound Nameethyl 2-(aminomethyl)-3-cyclopentyl-2-(3-fluorophenyl)propanoate
PubChem CID106490266
Molecular FormulaC17H24FNO2
Molecular Weight293.38 g/mol
Exact Mass293.18
IUPAC Nameethyl 2-(aminomethyl)-3-cyclopentyl-2-(3-fluorophenyl)propanoate
SMILESCCOC(=O)C(CN)(CC1CCCC1)c1cccc(F)c1
InChIInChI=1S/C17H24FNO2/c1-2-21-16(20)17(12-19,11-13-6-3-4-7-13)14-8-5-9-15(18)10-14/h5,8-10,13H,2-4,6-7,11-12,19H2,1H3
InChIKeyURYPKSRBVOOZLL-UHFFFAOYSA-N
XLogP3.17
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 2-(aminomethyl)-3-cyclopentyl-2-(3-fluorophenyl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-(aminomethyl)-3-cyclobutyl-2-(3-fluorophenyl)propanoate
CID 106490301
ethyl 2-(aminomethyl)-4-cyclopropyl-2-(3-fluorophenyl)butanoate
CID 106490280
2-(aminomethyl)-3-cyclopentyl-2-(3-fluorophenyl)propanoic acid
CID 106490422
ethyl 2-(aminomethyl)-3-cyclopropyl-2-(3,5-difluorophenyl)propanoate
CID 106490318
ethyl 2-(aminomethyl)-2-(3-fluorophenyl)-6-hydroxyhexanoate
CID 106490298
ethyl 2-(aminomethyl)-2-(3-fluorophenyl)-4-methylsulfonylbutanoate
CID 106490287
ethyl 2-(cyclopentylamino)-2-(3-fluorophenyl)butanoate
CID 114871991
2-(aminomethyl)-3-ethoxy-2-(3-fluorophenyl)propanoic acid
CID 106490477
diethyl 2-ethyl-2-(3-fluorophenyl)propanedioate
CID 103973181
ethyl 2-(aminomethyl)-3-(oxan-2-yl)-2-phenylpropanoate
CID 106509550
methyl 3-amino-2-cyclopropyl-2-(3-fluorophenyl)propanoate
CID 106509500
ethyl 2-(3-fluorophenyl)-2-hydroxybutanoate
CID 114872880

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(aminomethyl)-3-cyclopentyl-2-(3-fluorophenyl)propanoate?
The IUPAC name of ethyl 2-(aminomethyl)-3-cyclopentyl-2-(3-fluorophenyl)propanoate (CID 106490266) is ethyl 2-(aminomethyl)-3-cyclopentyl-2-(3-fluorophenyl)propanoate.
What is the SMILES notation for ethyl 2-(aminomethyl)-3-cyclopentyl-2-(3-fluorophenyl)propanoate?
The canonical SMILES for ethyl 2-(aminomethyl)-3-cyclopentyl-2-(3-fluorophenyl)propanoate is CCOC(=O)C(CN)(CC1CCCC1)c1cccc(F)c1.
What is the InChIKey of ethyl 2-(aminomethyl)-3-cyclopentyl-2-(3-fluorophenyl)propanoate?
The InChIKey is URYPKSRBVOOZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO2/c1-2-21-16(20)17(12-19,11-13-6-3-4-7-13)14-8-5-9-15(18)10-14/h5,8-10,13H,2-4,6-7,11-12,19H2,1H3.
What are the key properties of ethyl 2-(aminomethyl)-3-cyclopentyl-2-(3-fluorophenyl)propanoate?
ethyl 2-(aminomethyl)-3-cyclopentyl-2-(3-fluorophenyl)propanoate has a molecular weight of 293.38 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(aminomethyl)-3-cyclopentyl-2-(3-fluorophenyl)propanoate is sourced from PubChem (CID 106490266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).