3-[cyclohexyl(ethyl)azaniumyl]propanoate

C11H21NO2 — CID 42307541

IUPAC3-[cyclohexyl(ethyl)azaniumyl]propanoate
SMILESCC[NH+](CCC(=O)[O-])C1CCCCC1
InChIInChI=1S/C11H21NO2/c1-2-12(9-8-11(13)14)10-6-4-3-5-7-10/h10H,2-9H2,1H3,(H,13,14)
InChIKeyXRZMJUVUGWXKNG-UHFFFAOYSA-N
MW199.29 g/mol
LogP-0.64
Rot. Bonds5

About 3-[cyclohexyl(ethyl)azaniumyl]propanoate

3-[cyclohexyl(ethyl)azaniumyl]propanoate (PubChem CID 42307541) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 3-[cyclohexyl(ethyl)azaniumyl]propanoate.

Molecular Properties

Compound Name3-[cyclohexyl(ethyl)azaniumyl]propanoate
PubChem CID42307541
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name3-[cyclohexyl(ethyl)azaniumyl]propanoate
SMILESCC[NH+](CCC(=O)[O-])C1CCCCC1
InChIInChI=1S/C11H21NO2/c1-2-12(9-8-11(13)14)10-6-4-3-5-7-10/h10H,2-9H2,1H3,(H,13,14)
InChIKeyXRZMJUVUGWXKNG-UHFFFAOYSA-N
XLogP-0.64
TPSA44.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

butanoate;dicyclohexylazanium
CID 141420564
2-[cyclohexyl-[(4-methylphenyl)methyl]azaniumyl]acetate
CID 39361489
3-[[cyclohexyl(ethyl)azaniumyl]methoxy]benzoate
CID 42229881
zinc bis(3-(dicyclohexylamino)propanoate)
CID 70302332
3-[methyl-(1-methylpiperidin-1-ium-4-yl)azaniumyl]propanoate
CID 7536556
4-cyclohexylbutanoate;lead(2+)
CID 21118991
bis(4-cyclohexylbutanoate);iron(2+)
CID 22104083
sodium 3-cyclopentylpropanoate
CID 162201470
4-(diethylazaniumyl)butanoate
CID 38988212
2-[[2-[bis(carboxylatomethyl)azaniumyl]cyclohexyl]-(carboxylatomethyl)azaniumyl]acetate
CID 3313383
2-[4-[[cyclohexyl(methyl)azaniumyl]methyl]phenyl]acetate
CID 42260200
3-[cyclohexyl(methyl)azaniumyl]-2,2-dimethylpropanoate
CID 42310250

Frequently Asked Questions

What is the IUPAC name of 3-[cyclohexyl(ethyl)azaniumyl]propanoate?
The IUPAC name of 3-[cyclohexyl(ethyl)azaniumyl]propanoate (CID 42307541) is 3-[cyclohexyl(ethyl)azaniumyl]propanoate.
What is the SMILES notation for 3-[cyclohexyl(ethyl)azaniumyl]propanoate?
The canonical SMILES for 3-[cyclohexyl(ethyl)azaniumyl]propanoate is CC[NH+](CCC(=O)[O-])C1CCCCC1.
What is the InChIKey of 3-[cyclohexyl(ethyl)azaniumyl]propanoate?
The InChIKey is XRZMJUVUGWXKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-2-12(9-8-11(13)14)10-6-4-3-5-7-10/h10H,2-9H2,1H3,(H,13,14).
What are the key properties of 3-[cyclohexyl(ethyl)azaniumyl]propanoate?
3-[cyclohexyl(ethyl)azaniumyl]propanoate has a molecular weight of 199.29 g/mol, XLogP of -0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexyl(ethyl)azaniumyl]propanoate is sourced from PubChem (CID 42307541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).