[(2S)-3-(4-acetamidophenoxy)-2-hydroxypropyl]-cyclopentylazanium

C16H25N2O3+ — CID 7187889

IUPAC[(2S)-3-(4-acetamidophenoxy)-2-hydroxypropyl]-cyclopentylazanium
SMILESCC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]C2CCCC2)cc1
InChIInChI=1S/C16H24N2O3/c1-12(19)18-14-6-8-16(9-7-14)21-11-15(20)10-17-13-4-2-3-5-13/h6-9,13,15,17,20H,2-5,10-11H2,1H3,(H,18,19)/p+1/t15-/m0/s1
InChIKeyJBQPSRMRWULQNY-HNNXBMFYSA-O
MW293.39 g/mol
LogP0.89
Rot. Bonds7

About [(2S)-3-(4-acetamidophenoxy)-2-hydroxypropyl]-cyclopentylazanium

[(2S)-3-(4-acetamidophenoxy)-2-hydroxypropyl]-cyclopentylazanium (PubChem CID 7187889) has the molecular formula C16H25N2O3+ and a molecular weight of 293.39 g/mol. Its IUPAC name is [(2S)-3-(4-acetamidophenoxy)-2-hydroxypropyl]-cyclopentylazanium.

Molecular Properties

Compound Name[(2S)-3-(4-acetamidophenoxy)-2-hydroxypropyl]-cyclopentylazanium
PubChem CID7187889
Molecular FormulaC16H25N2O3+
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC Name[(2S)-3-(4-acetamidophenoxy)-2-hydroxypropyl]-cyclopentylazanium
SMILESCC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]C2CCCC2)cc1
InChIInChI=1S/C16H24N2O3/c1-12(19)18-14-6-8-16(9-7-14)21-11-15(20)10-17-13-4-2-3-5-13/h6-9,13,15,17,20H,2-5,10-11H2,1H3,(H,18,19)/p+1/t15-/m0/s1
InChIKeyJBQPSRMRWULQNY-HNNXBMFYSA-O
XLogP0.89
TPSA75.17 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-3-(4-acetylphenoxy)-2-hydroxypropyl]-cyclopentylazanium
CID 7187887
cyclopentyl-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]azanium
CID 7473365
[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-cyclopentylazanium
CID 7473337
[(2R)-3-(4-benzoylphenoxy)-2-hydroxypropyl]-cyclooctylazanium
CID 2102085
cyclopentyl-[(2S)-3-(3,4-dimethylphenoxy)-2-hydroxypropyl]azanium
CID 7473347
N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
CID 4883
N-[4-[(2S)-2-hydroxy-3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]acetamide
CID 51422944
N-[4-(2-hydroxy-3-pyrrolidin-1-ylpropoxy)phenyl]acetamide chloride
CID 46863837
N-[4-[3-(4-ethylphenoxy)-2-hydroxypropoxy]phenyl]acetamide
CID 42958085
N-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]phenyl]acetamide
CID 2962057
N-[4-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-ium-1-yl)propoxy]phenyl]acetamide
CID 7166476
N-[4-(2-hydroxy-3,3-dimethylbutoxy)phenyl]acetamide
CID 114265317

Frequently Asked Questions

What is the IUPAC name of [(2S)-3-(4-acetamidophenoxy)-2-hydroxypropyl]-cyclopentylazanium?
The IUPAC name of [(2S)-3-(4-acetamidophenoxy)-2-hydroxypropyl]-cyclopentylazanium (CID 7187889) is [(2S)-3-(4-acetamidophenoxy)-2-hydroxypropyl]-cyclopentylazanium.
What is the SMILES notation for [(2S)-3-(4-acetamidophenoxy)-2-hydroxypropyl]-cyclopentylazanium?
The canonical SMILES for [(2S)-3-(4-acetamidophenoxy)-2-hydroxypropyl]-cyclopentylazanium is CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]C2CCCC2)cc1.
What is the InChIKey of [(2S)-3-(4-acetamidophenoxy)-2-hydroxypropyl]-cyclopentylazanium?
The InChIKey is JBQPSRMRWULQNY-HNNXBMFYSA-O. The full InChI is InChI=1S/C16H24N2O3/c1-12(19)18-14-6-8-16(9-7-14)21-11-15(20)10-17-13-4-2-3-5-13/h6-9,13,15,17,20H,2-5,10-11H2,1H3,(H,18,19)/p+1/t15-/m0/s1.
What are the key properties of [(2S)-3-(4-acetamidophenoxy)-2-hydroxypropyl]-cyclopentylazanium?
[(2S)-3-(4-acetamidophenoxy)-2-hydroxypropyl]-cyclopentylazanium has a molecular weight of 293.39 g/mol, XLogP of 0.89, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3-(4-acetamidophenoxy)-2-hydroxypropyl]-cyclopentylazanium is sourced from PubChem (CID 7187889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).