ethyl 2-[[3-(4-fluorophenyl)cyclobutyl]amino]acetate

C14H18FNO2 — CID 60811082

IUPACethyl 2-[[3-(4-fluorophenyl)cyclobutyl]amino]acetate
SMILESCCOC(=O)CNC1CC(c2ccc(F)cc2)C1
InChIInChI=1S/C14H18FNO2/c1-2-18-14(17)9-16-13-7-11(8-13)10-3-5-12(15)6-4-10/h3-6,11,13,16H,2,7-9H2,1H3
InChIKeyHIKYELBSTYNYQJ-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.22
Rot. Bonds5

About ethyl 2-[[3-(4-fluorophenyl)cyclobutyl]amino]acetate

ethyl 2-[[3-(4-fluorophenyl)cyclobutyl]amino]acetate (PubChem CID 60811082) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is ethyl 2-[[3-(4-fluorophenyl)cyclobutyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[3-(4-fluorophenyl)cyclobutyl]amino]acetate
PubChem CID60811082
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Nameethyl 2-[[3-(4-fluorophenyl)cyclobutyl]amino]acetate
SMILESCCOC(=O)CNC1CC(c2ccc(F)cc2)C1
InChIInChI=1S/C14H18FNO2/c1-2-18-14(17)9-16-13-7-11(8-13)10-3-5-12(15)6-4-10/h3-6,11,13,16H,2,7-9H2,1H3
InChIKeyHIKYELBSTYNYQJ-UHFFFAOYSA-N
XLogP2.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(4-fluorophenyl)cyclobutyl]amino]acetic acid
CID 43635152
ethyl 2-[[3-(2-fluorophenyl)cyclobutyl]amino]acetate
CID 54921064
ethyl 2-[[3-(3-chlorophenyl)cyclobutyl]amino]acetate
CID 54921027
3-(4-fluorophenyl)-N-[(3-methylthiophen-2-yl)methyl]cyclobutan-1-amine
CID 78952785
3-(4-fluorophenyl)-N-(3-methylsulfonylpropyl)cyclobutan-1-amine
CID 54904499
ethyl 2-[4-(4-fluorophenyl)-2-oxocyclohexyl]acetate
CID 91222586
1-N-[3-(4-fluorophenyl)cyclobutyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 43634263
3-(4-fluorophenyl)-N-(4-methoxy-2,2-dimethylbutyl)cyclobutan-1-amine
CID 104651089
ethyl 3-(4-fluorophenyl)-3-oxopropanoate;propane
CID 174275035
tert-butyl N-[1-[[3-(4-fluorophenyl)cyclobutyl]amino]propan-2-yl]carbamate
CID 107247467
N-(2,3-dimethylbutyl)-3-(4-fluorophenyl)cyclobutan-1-amine
CID 64568470
3-(4-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]cyclobutan-1-amine
CID 63305958

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3-(4-fluorophenyl)cyclobutyl]amino]acetate?
The IUPAC name of ethyl 2-[[3-(4-fluorophenyl)cyclobutyl]amino]acetate (CID 60811082) is ethyl 2-[[3-(4-fluorophenyl)cyclobutyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[3-(4-fluorophenyl)cyclobutyl]amino]acetate?
The canonical SMILES for ethyl 2-[[3-(4-fluorophenyl)cyclobutyl]amino]acetate is CCOC(=O)CNC1CC(c2ccc(F)cc2)C1.
What is the InChIKey of ethyl 2-[[3-(4-fluorophenyl)cyclobutyl]amino]acetate?
The InChIKey is HIKYELBSTYNYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-2-18-14(17)9-16-13-7-11(8-13)10-3-5-12(15)6-4-10/h3-6,11,13,16H,2,7-9H2,1H3.
What are the key properties of ethyl 2-[[3-(4-fluorophenyl)cyclobutyl]amino]acetate?
ethyl 2-[[3-(4-fluorophenyl)cyclobutyl]amino]acetate has a molecular weight of 251.30 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[3-(4-fluorophenyl)cyclobutyl]amino]acetate is sourced from PubChem (CID 60811082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).