methyl 4-[[3-(2-fluorophenyl)cyclobutyl]amino]butanoate

C15H20FNO2 — CID 60782595

IUPACmethyl 4-[[3-(2-fluorophenyl)cyclobutyl]amino]butanoate
SMILESCOC(=O)CCCNC1CC(c2ccccc2F)C1
InChIInChI=1S/C15H20FNO2/c1-19-15(18)7-4-8-17-12-9-11(10-12)13-5-2-3-6-14(13)16/h2-3,5-6,11-12,17H,4,7-10H2,1H3
InChIKeyBHDRQKKTZHFHSR-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.61
Rot. Bonds6

About methyl 4-[[3-(2-fluorophenyl)cyclobutyl]amino]butanoate

methyl 4-[[3-(2-fluorophenyl)cyclobutyl]amino]butanoate (PubChem CID 60782595) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is methyl 4-[[3-(2-fluorophenyl)cyclobutyl]amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[[3-(2-fluorophenyl)cyclobutyl]amino]butanoate
PubChem CID60782595
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Namemethyl 4-[[3-(2-fluorophenyl)cyclobutyl]amino]butanoate
SMILESCOC(=O)CCCNC1CC(c2ccccc2F)C1
InChIInChI=1S/C15H20FNO2/c1-19-15(18)7-4-8-17-12-9-11(10-12)13-5-2-3-6-14(13)16/h2-3,5-6,11-12,17H,4,7-10H2,1H3
InChIKeyBHDRQKKTZHFHSR-UHFFFAOYSA-N
XLogP2.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[[3-(2-fluorophenyl)cyclobutyl]amino]pentanamide
CID 106233343
ethyl 2-[[3-(2-fluorophenyl)cyclobutyl]amino]acetate
CID 54921064
N-(3-ethoxypropyl)-3-(2-fluorophenyl)cyclobutan-1-amine
CID 43633919
ethyl 4-[[3-(2-methoxyphenyl)cyclobutyl]amino]butanoate
CID 64577929
4-[[3-(2-methoxyphenyl)cyclobutyl]amino]butanoic acid
CID 60782936
3-(2-fluorophenyl)-N-(7-methyloctyl)cyclobutan-1-amine
CID 43634781
3-[[3-(2-fluorophenyl)cyclobutyl]amino]-1-pyrrolidin-1-ylpropan-1-one
CID 43634310
4-[[3-(2-fluorophenyl)cyclobutyl]carbamoylamino]butanoic acid
CID 122012972
methyl 5-(2,3-dihydro-1H-inden-2-ylamino)pentanoate
CID 171725916
methyl 4-(2-fluoroanilino)butanoate
CID 43377911
3-[[3-(2-fluorophenyl)cyclobutyl]carbamoylamino]propanoic acid
CID 122012971
methyl 5-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-5-oxopentanoate
CID 75507661

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[3-(2-fluorophenyl)cyclobutyl]amino]butanoate?
The IUPAC name of methyl 4-[[3-(2-fluorophenyl)cyclobutyl]amino]butanoate (CID 60782595) is methyl 4-[[3-(2-fluorophenyl)cyclobutyl]amino]butanoate.
What is the SMILES notation for methyl 4-[[3-(2-fluorophenyl)cyclobutyl]amino]butanoate?
The canonical SMILES for methyl 4-[[3-(2-fluorophenyl)cyclobutyl]amino]butanoate is COC(=O)CCCNC1CC(c2ccccc2F)C1.
What is the InChIKey of methyl 4-[[3-(2-fluorophenyl)cyclobutyl]amino]butanoate?
The InChIKey is BHDRQKKTZHFHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-19-15(18)7-4-8-17-12-9-11(10-12)13-5-2-3-6-14(13)16/h2-3,5-6,11-12,17H,4,7-10H2,1H3.
What are the key properties of methyl 4-[[3-(2-fluorophenyl)cyclobutyl]amino]butanoate?
methyl 4-[[3-(2-fluorophenyl)cyclobutyl]amino]butanoate has a molecular weight of 265.33 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[3-(2-fluorophenyl)cyclobutyl]amino]butanoate is sourced from PubChem (CID 60782595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).