[(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

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

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Related Compounds

2-Methyl-1-phenylpropan-2-yl alaninate--hydrogen chloride (1/1)
CID 42371
[1-(4-Fluorophenyl)-2-methylpropan-2-yl] 2-amino-4-methylpentanoate
CID 44209134
(2-Methyl-1-phenylpropan-2-yl) 2-aminopropanoate
CID 42372
[1-(4-fluorophenyl)-2-methylpropan-2-yl] (2S)-2-amino-4-methylpentanoate
CID 15703344
[1-(4-Fluorophenyl)-2-methylpropan-2-yl] 2-aminopentanoate
CID 53894177
[1-(4-Fluorophenyl)-2-methylpropan-2-yl] 2-amino-3-methylbutanoate
CID 53946886
[1-(4-Fluorophenyl)-2-methylpropan-2-yl] 2-aminobutanoate
CID 54338423
[2-Methyl-1-[4-(trifluoromethyl)phenyl]propan-2-yl] 2-aminopropanoate
CID 54489467
2-(4-fluorophenyl)ethyl (2S)-2-amino-4-methylpentanoate
CID 71097090
[1-(4-Fluorophenyl)-2-methylpropan-2-yl] 2-aminopropanoate
CID 85648276
(3S,7S,8R,9S)-3-amino-8-[(4-fluorophenyl)methyl]-9-methyl-7-propyloxonan-2-one
CID 118501785
(2R,3S,4S,7S)-7-amino-2-ethyl-3-[(4-fluorophenyl)methyl]-4-methyl-1,5-dioxonan-6-one
CID 118652459

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).