carboxy-[4-(2-ethoxy-2-oxoethyl)cyclohexyl]azanide;rubidium(1+)

C11H18NO4Rb — CID 145109269

IUPACcarboxy-[4-(2-ethoxy-2-oxoethyl)cyclohexyl]azanide;rubidium(1+)
SMILESCCOC(=O)CC1CCC([N-]C(=O)O)CC1.[Rb+]
InChIInChI=1S/C11H18NO4.Rb/c1-2-16-10(13)7-8-3-5-9(6-4-8)12-11(14)15;/h8-9H,2-7H2,1H3,(H,14,15);/q-1;+1
InChIKeyLJFRTWTWTGSTTQ-UHFFFAOYSA-N
MW313.74 g/mol
LogP-0.45
Rot. Bonds4

About carboxy-[4-(2-ethoxy-2-oxoethyl)cyclohexyl]azanide;rubidium(1+)

carboxy-[4-(2-ethoxy-2-oxoethyl)cyclohexyl]azanide;rubidium(1+) (PubChem CID 145109269) has the molecular formula C11H18NO4Rb and a molecular weight of 313.74 g/mol. Its IUPAC name is carboxy-[4-(2-ethoxy-2-oxoethyl)cyclohexyl]azanide;rubidium(1+).

Molecular Properties

Compound Namecarboxy-[4-(2-ethoxy-2-oxoethyl)cyclohexyl]azanide;rubidium(1+)
PubChem CID145109269
Molecular FormulaC11H18NO4Rb
Molecular Weight313.74 g/mol
Exact Mass313.04
IUPAC Namecarboxy-[4-(2-ethoxy-2-oxoethyl)cyclohexyl]azanide;rubidium(1+)
SMILESCCOC(=O)CC1CCC([N-]C(=O)O)CC1.[Rb+]
InChIInChI=1S/C11H18NO4.Rb/c1-2-16-10(13)7-8-3-5-9(6-4-8)12-11(14)15;/h8-9H,2-7H2,1H3,(H,14,15);/q-1;+1
InChIKeyLJFRTWTWTGSTTQ-UHFFFAOYSA-N
XLogP-0.45
TPSA77.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[4-(aminomethyl)cyclohexyl]acetate
CID 70333182
ethyl 2-(4-bromocyclohexyl)acetate
CID 54545940
ethyl 2-(4,4-dimethylcyclohexyl)acetate
CID 23001036
ethyl 2-(4-prop-2-enylcyclohexyl)acetate
CID 89472943
ethyl 2-[4-[(R)-amino(cyano)methyl]cyclohexyl]acetate
CID 125472006
ethyl 2-[(1R,3S)-3-(2-ethoxy-2-oxoethyl)cyclohexyl]acetate
CID 58358703
ethyl 2-(azocan-5-yl)acetate
CID 123423074
ethyl 2-(1-methanidylpiperidin-1-ium-4-yl)acetate
CID 59130933
ethyl acetate;ethyl 2-cyclohexylacetate
CID 66912131
ethyl 2-(1-iodopiperidin-4-yl)acetate
CID 122597467
ethyl 2-[4-[methyl(propanoyl)amino]cyclohexyl]acetate
CID 121438943
ethyl 2-[4-[bis(2-hydroxyethyl)amino]cyclohexyl]acetate
CID 12636193

Frequently Asked Questions

What is the IUPAC name of carboxy-[4-(2-ethoxy-2-oxoethyl)cyclohexyl]azanide;rubidium(1+)?
The IUPAC name of carboxy-[4-(2-ethoxy-2-oxoethyl)cyclohexyl]azanide;rubidium(1+) (CID 145109269) is carboxy-[4-(2-ethoxy-2-oxoethyl)cyclohexyl]azanide;rubidium(1+).
What is the SMILES notation for carboxy-[4-(2-ethoxy-2-oxoethyl)cyclohexyl]azanide;rubidium(1+)?
The canonical SMILES for carboxy-[4-(2-ethoxy-2-oxoethyl)cyclohexyl]azanide;rubidium(1+) is CCOC(=O)CC1CCC([N-]C(=O)O)CC1.[Rb+].
What is the InChIKey of carboxy-[4-(2-ethoxy-2-oxoethyl)cyclohexyl]azanide;rubidium(1+)?
The InChIKey is LJFRTWTWTGSTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18NO4.Rb/c1-2-16-10(13)7-8-3-5-9(6-4-8)12-11(14)15;/h8-9H,2-7H2,1H3,(H,14,15);/q-1;+1.
What are the key properties of carboxy-[4-(2-ethoxy-2-oxoethyl)cyclohexyl]azanide;rubidium(1+)?
carboxy-[4-(2-ethoxy-2-oxoethyl)cyclohexyl]azanide;rubidium(1+) has a molecular weight of 313.74 g/mol, XLogP of -0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carboxy-[4-(2-ethoxy-2-oxoethyl)cyclohexyl]azanide;rubidium(1+) is sourced from PubChem (CID 145109269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).