ethyl 2-(cyclopentylamino)-2-(3-fluorophenyl)butanoate

C17H24FNO2 — CID 114871991

IUPACethyl 2-(cyclopentylamino)-2-(3-fluorophenyl)butanoate
SMILESCCOC(=O)C(CC)(NC1CCCC1)c1cccc(F)c1
InChIInChI=1S/C17H24FNO2/c1-3-17(16(20)21-4-2,19-15-10-5-6-11-15)13-8-7-9-14(18)12-13/h7-9,12,15,19H,3-6,10-11H2,1-2H3
InChIKeyPODLUDDERIJHMO-UHFFFAOYSA-N
MW293.38 g/mol
LogP3.53
Rot. Bonds6

About ethyl 2-(cyclopentylamino)-2-(3-fluorophenyl)butanoate

ethyl 2-(cyclopentylamino)-2-(3-fluorophenyl)butanoate (PubChem CID 114871991) has the molecular formula C17H24FNO2 and a molecular weight of 293.38 g/mol. Its IUPAC name is ethyl 2-(cyclopentylamino)-2-(3-fluorophenyl)butanoate.

Molecular Properties

Compound Nameethyl 2-(cyclopentylamino)-2-(3-fluorophenyl)butanoate
PubChem CID114871991
Molecular FormulaC17H24FNO2
Molecular Weight293.38 g/mol
Exact Mass293.18
IUPAC Nameethyl 2-(cyclopentylamino)-2-(3-fluorophenyl)butanoate
SMILESCCOC(=O)C(CC)(NC1CCCC1)c1cccc(F)c1
InChIInChI=1S/C17H24FNO2/c1-3-17(16(20)21-4-2,19-15-10-5-6-11-15)13-8-7-9-14(18)12-13/h7-9,12,15,19H,3-6,10-11H2,1-2H3
InChIKeyPODLUDDERIJHMO-UHFFFAOYSA-N
XLogP3.53
TPSA38.33 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 ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cycloheptylamino)-2-(3-fluorophenyl)butanamide
CID 114871995
ethyl 2-(aminomethyl)-3-cyclopentyl-2-(3-fluorophenyl)propanoate
CID 106490266
diethyl 2-ethyl-2-(3-fluorophenyl)propanedioate
CID 103973181
2-(cycloheptylamino)-2-(3-fluorophenyl)butan-1-ol
CID 114872869
methyl 2-(cyclopentylamino)-2-(4-methylphenyl)butanoate
CID 60999109
ethyl 2-(aminomethyl)-3-cyclobutyl-2-(3-fluorophenyl)propanoate
CID 106490301
2-(3-fluorophenyl)-2-(methylamino)butanamide
CID 114871926
ethyl 2-(3-fluorophenyl)-2-hydroxybutanoate
CID 114872880
2-(3-chlorophenyl)-2-(cycloheptylamino)butanamide
CID 60998078
ethyl 2-(cyclopentylamino)-2-phenylpropanoate
CID 54893875
ethyl 2-(aminomethyl)-4-cyclopropyl-2-(3-fluorophenyl)butanoate
CID 106490280
ethyl 2-(cyclopentylamino)-2-(2,5-difluorophenyl)propanoate
CID 60997342

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclopentylamino)-2-(3-fluorophenyl)butanoate?
The IUPAC name of ethyl 2-(cyclopentylamino)-2-(3-fluorophenyl)butanoate (CID 114871991) is ethyl 2-(cyclopentylamino)-2-(3-fluorophenyl)butanoate.
What is the SMILES notation for ethyl 2-(cyclopentylamino)-2-(3-fluorophenyl)butanoate?
The canonical SMILES for ethyl 2-(cyclopentylamino)-2-(3-fluorophenyl)butanoate is CCOC(=O)C(CC)(NC1CCCC1)c1cccc(F)c1.
What is the InChIKey of ethyl 2-(cyclopentylamino)-2-(3-fluorophenyl)butanoate?
The InChIKey is PODLUDDERIJHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO2/c1-3-17(16(20)21-4-2,19-15-10-5-6-11-15)13-8-7-9-14(18)12-13/h7-9,12,15,19H,3-6,10-11H2,1-2H3.
What are the key properties of ethyl 2-(cyclopentylamino)-2-(3-fluorophenyl)butanoate?
ethyl 2-(cyclopentylamino)-2-(3-fluorophenyl)butanoate has a molecular weight of 293.38 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclopentylamino)-2-(3-fluorophenyl)butanoate is sourced from PubChem (CID 114871991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).