[(2S)-1-cyclohexyloxy-1-oxopropan-2-yl]azanium

C9H18NO2+ — CID 86325429

IUPAC[(2S)-1-cyclohexyloxy-1-oxopropan-2-yl]azanium
SMILESC[C@H]([NH3+])C(=O)OC1CCCCC1
InChIInChI=1S/C9H17NO2/c1-7(10)9(11)12-8-5-3-2-4-6-8/h7-8H,2-6,10H2,1H3/p+1/t7-/m0/s1
InChIKeyBYAGYQXRLBVKTP-ZETCQYMHSA-O
MW172.25 g/mol
LogP0.49
Rot. Bonds2

About [(2S)-1-cyclohexyloxy-1-oxopropan-2-yl]azanium

[(2S)-1-cyclohexyloxy-1-oxopropan-2-yl]azanium (PubChem CID 86325429) has the molecular formula C9H18NO2+ and a molecular weight of 172.25 g/mol. Its IUPAC name is [(2S)-1-cyclohexyloxy-1-oxopropan-2-yl]azanium.

Molecular Properties

Compound Name[(2S)-1-cyclohexyloxy-1-oxopropan-2-yl]azanium
PubChem CID86325429
Molecular FormulaC9H18NO2+
Molecular Weight172.25 g/mol
Exact Mass172.13
IUPAC Name[(2S)-1-cyclohexyloxy-1-oxopropan-2-yl]azanium
SMILESC[C@H]([NH3+])C(=O)OC1CCCCC1
InChIInChI=1S/C9H17NO2/c1-7(10)9(11)12-8-5-3-2-4-6-8/h7-8H,2-6,10H2,1H3/p+1/t7-/m0/s1
InChIKeyBYAGYQXRLBVKTP-ZETCQYMHSA-O
XLogP0.49
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(2S)-1-cyclohexyloxy-1-oxopropan-2-yl]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

cycloheptyl 2-aminopropanoate;hydrochloride
CID 74957485
cyclohexyl 2-aminopropanoate;ethene
CID 144654176
cycloheptyl 3-amino-2-methylpropanoate
CID 62668819
cyclohexyl 2-(propan-2-ylamino)propanoate
CID 19362177
cycloheptyl (2R)-2-amino-4-methylpentanoate
CID 78976122
cyclohexyl 3-iodo-2-methylpropanoate
CID 155283171
cyclobutyl (2S)-2-aminopropanoate
CID 45086620
cyclopentyl (2S)-2-amino-2-cyclopropylacetate
CID 94554301
tetracyclohexyl butane-1,2,3,4-tetracarboxylate
CID 91735158
cyclohexyl 2-[[[(1-cyclohexyloxy-1-oxopropan-2-yl)amino]-methylphosphoryl]amino]propanoate
CID 123600330
cyclopentyl 2-ethoxypropanoate
CID 173270406
cyclopropyl 2-methylpropanoate
CID 54511576

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-cyclohexyloxy-1-oxopropan-2-yl]azanium?
The IUPAC name of [(2S)-1-cyclohexyloxy-1-oxopropan-2-yl]azanium (CID 86325429) is [(2S)-1-cyclohexyloxy-1-oxopropan-2-yl]azanium.
What is the SMILES notation for [(2S)-1-cyclohexyloxy-1-oxopropan-2-yl]azanium?
The canonical SMILES for [(2S)-1-cyclohexyloxy-1-oxopropan-2-yl]azanium is C[C@H]([NH3+])C(=O)OC1CCCCC1.
What is the InChIKey of [(2S)-1-cyclohexyloxy-1-oxopropan-2-yl]azanium?
The InChIKey is BYAGYQXRLBVKTP-ZETCQYMHSA-O. The full InChI is InChI=1S/C9H17NO2/c1-7(10)9(11)12-8-5-3-2-4-6-8/h7-8H,2-6,10H2,1H3/p+1/t7-/m0/s1.
What are the key properties of [(2S)-1-cyclohexyloxy-1-oxopropan-2-yl]azanium?
[(2S)-1-cyclohexyloxy-1-oxopropan-2-yl]azanium has a molecular weight of 172.25 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-cyclohexyloxy-1-oxopropan-2-yl]azanium is sourced from PubChem (CID 86325429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).