cyclopentyl-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]azanium

C15H24NO3+ — CID 7473365

IUPACcyclopentyl-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]azanium
SMILESCOc1ccc(OC[C@@H](O)C[NH2+]C2CCCC2)cc1
InChIInChI=1S/C15H23NO3/c1-18-14-6-8-15(9-7-14)19-11-13(17)10-16-12-4-2-3-5-12/h6-9,12-13,16-17H,2-5,10-11H2,1H3/p+1/t13-/m0/s1
InChIKeyAVAOEPBPSCNXFA-ZDUSSCGKSA-O
MW266.36 g/mol
LogP0.94
Rot. Bonds7

About cyclopentyl-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]azanium

cyclopentyl-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]azanium (PubChem CID 7473365) has the molecular formula C15H24NO3+ and a molecular weight of 266.36 g/mol. Its IUPAC name is cyclopentyl-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]azanium.

Molecular Properties

Compound Namecyclopentyl-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]azanium
PubChem CID7473365
Molecular FormulaC15H24NO3+
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Namecyclopentyl-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]azanium
SMILESCOc1ccc(OC[C@@H](O)C[NH2+]C2CCCC2)cc1
InChIInChI=1S/C15H23NO3/c1-18-14-6-8-15(9-7-14)19-11-13(17)10-16-12-4-2-3-5-12/h6-9,12-13,16-17H,2-5,10-11H2,1H3/p+1/t13-/m0/s1
InChIKeyAVAOEPBPSCNXFA-ZDUSSCGKSA-O
XLogP0.94
TPSA55.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze cyclopentyl-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-cyclopentylazanium
CID 7473337
[(2S)-3-(4-acetylphenoxy)-2-hydroxypropyl]-cyclopentylazanium
CID 7187887
cyclopentyl-[(2S)-3-(3,4-dimethylphenoxy)-2-hydroxypropyl]azanium
CID 7473347
[(2S)-3-(4-acetamidophenoxy)-2-hydroxypropyl]-cyclopentylazanium
CID 7187889
[(2R)-3-(4-benzoylphenoxy)-2-hydroxypropyl]-cyclooctylazanium
CID 2102085
[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-propan-2-ylazanium
CID 6922817
1-(dicyclohexylamino)-3-(4-methoxyphenoxy)propan-2-ol chloride
CID 53314392
[(2R)-3-(2-bromophenoxy)-2-hydroxypropyl]-cyclohexylazanium
CID 7420719
[(2R)-3-[2-[(2R)-butan-2-yl]phenoxy]-2-hydroxypropyl]-cyclopentylazanium
CID 7187890
cyclopentyl-[(4-methoxyphenyl)methyl]azanium
CID 4742547
cyclohexyl-[4-(4-methoxyphenoxy)but-2-ynyl]azanium
CID 2195255
1-[(2-methoxycyclopentyl)amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 62088573

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]azanium?
The IUPAC name of cyclopentyl-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]azanium (CID 7473365) is cyclopentyl-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]azanium.
What is the SMILES notation for cyclopentyl-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]azanium?
The canonical SMILES for cyclopentyl-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]azanium is COc1ccc(OC[C@@H](O)C[NH2+]C2CCCC2)cc1.
What is the InChIKey of cyclopentyl-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]azanium?
The InChIKey is AVAOEPBPSCNXFA-ZDUSSCGKSA-O. The full InChI is InChI=1S/C15H23NO3/c1-18-14-6-8-15(9-7-14)19-11-13(17)10-16-12-4-2-3-5-12/h6-9,12-13,16-17H,2-5,10-11H2,1H3/p+1/t13-/m0/s1.
What are the key properties of cyclopentyl-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]azanium?
cyclopentyl-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]azanium has a molecular weight of 266.36 g/mol, XLogP of 0.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]azanium is sourced from PubChem (CID 7473365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).