[(1R,2S)-1-cyclobutyl-1-(4-fluoro-2-methylphenyl)propan-2-yl] (2S)-2-aminopropanoate

C17H24FNO2 — CID 135195222

IUPAC[(1R,2S)-1-cyclobutyl-1-(4-fluoro-2-methylphenyl)propan-2-yl] (2S)-2-aminopropanoate
SMILESCc1cc(F)ccc1[C@@H](C1CCC1)[C@H](C)OC(=O)[C@H](C)N
InChIInChI=1S/C17H24FNO2/c1-10-9-14(18)7-8-15(10)16(13-5-4-6-13)12(3)21-17(20)11(2)19/h7-9,11-13,16H,4-6,19H2,1-3H3/t11-,12-,16+/m0/s1
InChIKeyJZMUQLUEIXWVRZ-MQIPJXDCSA-N
MW293.38 g/mol
LogP3.30
Rot. Bonds5

About [(1R,2S)-1-cyclobutyl-1-(4-fluoro-2-methylphenyl)propan-2-yl] (2S)-2-aminopropanoate

[(1R,2S)-1-cyclobutyl-1-(4-fluoro-2-methylphenyl)propan-2-yl] (2S)-2-aminopropanoate (PubChem CID 135195222) has the molecular formula C17H24FNO2 and a molecular weight of 293.38 g/mol. Its IUPAC name is [(1R,2S)-1-cyclobutyl-1-(4-fluoro-2-methylphenyl)propan-2-yl] (2S)-2-aminopropanoate.

Molecular Properties

Compound Name[(1R,2S)-1-cyclobutyl-1-(4-fluoro-2-methylphenyl)propan-2-yl] (2S)-2-aminopropanoate
PubChem CID135195222
Molecular FormulaC17H24FNO2
Molecular Weight293.38 g/mol
Exact Mass293.18
IUPAC Name[(1R,2S)-1-cyclobutyl-1-(4-fluoro-2-methylphenyl)propan-2-yl] (2S)-2-aminopropanoate
SMILESCc1cc(F)ccc1[C@@H](C1CCC1)[C@H](C)OC(=O)[C@H](C)N
InChIInChI=1S/C17H24FNO2/c1-10-9-14(18)7-8-15(10)16(13-5-4-6-13)12(3)21-17(20)11(2)19/h7-9,11-13,16H,4-6,19H2,1-3H3/t11-,12-,16+/m0/s1
InChIKeyJZMUQLUEIXWVRZ-MQIPJXDCSA-N
XLogP3.30
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-1-cyclobutyl-1-(4-fluoro-2-methylphenyl)propan-2-yl] (2S)-2-aminopropanoate?
The IUPAC name of [(1R,2S)-1-cyclobutyl-1-(4-fluoro-2-methylphenyl)propan-2-yl] (2S)-2-aminopropanoate (CID 135195222) is [(1R,2S)-1-cyclobutyl-1-(4-fluoro-2-methylphenyl)propan-2-yl] (2S)-2-aminopropanoate.
What is the SMILES notation for [(1R,2S)-1-cyclobutyl-1-(4-fluoro-2-methylphenyl)propan-2-yl] (2S)-2-aminopropanoate?
The canonical SMILES for [(1R,2S)-1-cyclobutyl-1-(4-fluoro-2-methylphenyl)propan-2-yl] (2S)-2-aminopropanoate is Cc1cc(F)ccc1[C@@H](C1CCC1)[C@H](C)OC(=O)[C@H](C)N.
What is the InChIKey of [(1R,2S)-1-cyclobutyl-1-(4-fluoro-2-methylphenyl)propan-2-yl] (2S)-2-aminopropanoate?
The InChIKey is JZMUQLUEIXWVRZ-MQIPJXDCSA-N. The full InChI is InChI=1S/C17H24FNO2/c1-10-9-14(18)7-8-15(10)16(13-5-4-6-13)12(3)21-17(20)11(2)19/h7-9,11-13,16H,4-6,19H2,1-3H3/t11-,12-,16+/m0/s1.
What are the key properties of [(1R,2S)-1-cyclobutyl-1-(4-fluoro-2-methylphenyl)propan-2-yl] (2S)-2-aminopropanoate?
[(1R,2S)-1-cyclobutyl-1-(4-fluoro-2-methylphenyl)propan-2-yl] (2S)-2-aminopropanoate has a molecular weight of 293.38 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-1-cyclobutyl-1-(4-fluoro-2-methylphenyl)propan-2-yl] (2S)-2-aminopropanoate is sourced from PubChem (CID 135195222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).