[(1R,2S)-1-cyclopentyl-1-(3-fluorophenoxy)propan-2-yl] (2S)-2-aminopropanoate;hydrochloride

C17H25ClFNO3 — CID 162329343

IUPAC[(1R,2S)-1-cyclopentyl-1-(3-fluorophenoxy)propan-2-yl] (2S)-2-aminopropanoate;hydrochloride
SMILESC[C@H](N)C(=O)O[C@@H](C)[C@H](Oc1cccc(F)c1)C1CCCC1.Cl
InChIInChI=1S/C17H24FNO3.ClH/c1-11(19)17(20)21-12(2)16(13-6-3-4-7-13)22-15-9-5-8-14(18)10-15;/h5,8-13,16H,3-4,6-7,19H2,1-2H3;1H/t11-,12-,16-;/m0./s1
InChIKeyYFPUEBMCXBHMAU-GDZNKNMLSA-N
MW345.84 g/mol
LogP3.46
Rot. Bonds6

About [(1R,2S)-1-cyclopentyl-1-(3-fluorophenoxy)propan-2-yl] (2S)-2-aminopropanoate;hydrochloride

[(1R,2S)-1-cyclopentyl-1-(3-fluorophenoxy)propan-2-yl] (2S)-2-aminopropanoate;hydrochloride (PubChem CID 162329343) has the molecular formula C17H25ClFNO3 and a molecular weight of 345.84 g/mol. Its IUPAC name is [(1R,2S)-1-cyclopentyl-1-(3-fluorophenoxy)propan-2-yl] (2S)-2-aminopropanoate;hydrochloride.

Molecular Properties

Compound Name[(1R,2S)-1-cyclopentyl-1-(3-fluorophenoxy)propan-2-yl] (2S)-2-aminopropanoate;hydrochloride
PubChem CID162329343
Molecular FormulaC17H25ClFNO3
Molecular Weight345.84 g/mol
Exact Mass345.15
IUPAC Name[(1R,2S)-1-cyclopentyl-1-(3-fluorophenoxy)propan-2-yl] (2S)-2-aminopropanoate;hydrochloride
SMILESC[C@H](N)C(=O)O[C@@H](C)[C@H](Oc1cccc(F)c1)C1CCCC1.Cl
InChIInChI=1S/C17H24FNO3.ClH/c1-11(19)17(20)21-12(2)16(13-6-3-4-7-13)22-15-9-5-8-14(18)10-15;/h5,8-13,16H,3-4,6-7,19H2,1-2H3;1H/t11-,12-,16-;/m0./s1
InChIKeyYFPUEBMCXBHMAU-GDZNKNMLSA-N
XLogP3.46
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.84
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-1-cyclopentyl-1-(3-fluorophenoxy)propan-2-yl] (2S)-2-aminopropanoate;hydrochloride?
The IUPAC name of [(1R,2S)-1-cyclopentyl-1-(3-fluorophenoxy)propan-2-yl] (2S)-2-aminopropanoate;hydrochloride (CID 162329343) is [(1R,2S)-1-cyclopentyl-1-(3-fluorophenoxy)propan-2-yl] (2S)-2-aminopropanoate;hydrochloride.
What is the SMILES notation for [(1R,2S)-1-cyclopentyl-1-(3-fluorophenoxy)propan-2-yl] (2S)-2-aminopropanoate;hydrochloride?
The canonical SMILES for [(1R,2S)-1-cyclopentyl-1-(3-fluorophenoxy)propan-2-yl] (2S)-2-aminopropanoate;hydrochloride is C[C@H](N)C(=O)O[C@@H](C)[C@H](Oc1cccc(F)c1)C1CCCC1.Cl.
What is the InChIKey of [(1R,2S)-1-cyclopentyl-1-(3-fluorophenoxy)propan-2-yl] (2S)-2-aminopropanoate;hydrochloride?
The InChIKey is YFPUEBMCXBHMAU-GDZNKNMLSA-N. The full InChI is InChI=1S/C17H24FNO3.ClH/c1-11(19)17(20)21-12(2)16(13-6-3-4-7-13)22-15-9-5-8-14(18)10-15;/h5,8-13,16H,3-4,6-7,19H2,1-2H3;1H/t11-,12-,16-;/m0./s1.
What are the key properties of [(1R,2S)-1-cyclopentyl-1-(3-fluorophenoxy)propan-2-yl] (2S)-2-aminopropanoate;hydrochloride?
[(1R,2S)-1-cyclopentyl-1-(3-fluorophenoxy)propan-2-yl] (2S)-2-aminopropanoate;hydrochloride has a molecular weight of 345.84 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-1-cyclopentyl-1-(3-fluorophenoxy)propan-2-yl] (2S)-2-aminopropanoate;hydrochloride is sourced from PubChem (CID 162329343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).