2-(2-ethylmorpholine-4-carbonyl)cyclohexane-1-carboxylic acid

C14H23NO4 — CID 43562559

IUPAC2-(2-ethylmorpholine-4-carbonyl)cyclohexane-1-carboxylic acid
SMILESCCC1CN(C(=O)C2CCCCC2C(=O)O)CCO1
InChIInChI=1S/C14H23NO4/c1-2-10-9-15(7-8-19-10)13(16)11-5-3-4-6-12(11)14(17)18/h10-12H,2-9H2,1H3,(H,17,18)
InChIKeyQBLVCJWUAWHRKG-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.51
Rot. Bonds3

About 2-(2-ethylmorpholine-4-carbonyl)cyclohexane-1-carboxylic acid

2-(2-ethylmorpholine-4-carbonyl)cyclohexane-1-carboxylic acid (PubChem CID 43562559) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-(2-ethylmorpholine-4-carbonyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-ethylmorpholine-4-carbonyl)cyclohexane-1-carboxylic acid
PubChem CID43562559
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name2-(2-ethylmorpholine-4-carbonyl)cyclohexane-1-carboxylic acid
SMILESCCC1CN(C(=O)C2CCCCC2C(=O)O)CCO1
InChIInChI=1S/C14H23NO4/c1-2-10-9-15(7-8-19-10)13(16)11-5-3-4-6-12(11)14(17)18/h10-12H,2-9H2,1H3,(H,17,18)
InChIKeyQBLVCJWUAWHRKG-UHFFFAOYSA-N
XLogP1.51
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-ethylmorpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid
CID 43562560
(3-amino-2-methylcyclohexyl)-(2-ethylmorpholin-4-yl)methanone
CID 62781194
2-[2-(methoxymethyl)morpholine-4-carbonyl]cyclobutane-1-carboxylic acid
CID 120976260
2-ethylmorpholine-4-carboxylic acid
CID 121455686
1-(2-ethylmorpholine-4-carbonyl)-3-methylpiperidine-2-carboxylic acid
CID 107071345
3-(2-ethylmorpholine-4-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 43562554
[2-(hydroxymethyl)morpholin-4-yl]-(2-methylcyclopropyl)methanone
CID 81208013
2-(4-ethyl-3-methylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63610170
[4-(ethylamino)oxolan-3-yl]-(2-ethylmorpholin-4-yl)methanone
CID 66260205
(3-aminocyclohexyl)-(2-ethylmorpholin-4-yl)methanone;hydrochloride
CID 119703676
2-[4-(2-carboxycyclohexanecarbonyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 4025165
cis-(1S,2R)-2-(3-propan-2-ylpyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 114092803

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylmorpholine-4-carbonyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(2-ethylmorpholine-4-carbonyl)cyclohexane-1-carboxylic acid (CID 43562559) is 2-(2-ethylmorpholine-4-carbonyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(2-ethylmorpholine-4-carbonyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(2-ethylmorpholine-4-carbonyl)cyclohexane-1-carboxylic acid is CCC1CN(C(=O)C2CCCCC2C(=O)O)CCO1.
What is the InChIKey of 2-(2-ethylmorpholine-4-carbonyl)cyclohexane-1-carboxylic acid?
The InChIKey is QBLVCJWUAWHRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-2-10-9-15(7-8-19-10)13(16)11-5-3-4-6-12(11)14(17)18/h10-12H,2-9H2,1H3,(H,17,18).
What are the key properties of 2-(2-ethylmorpholine-4-carbonyl)cyclohexane-1-carboxylic acid?
2-(2-ethylmorpholine-4-carbonyl)cyclohexane-1-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylmorpholine-4-carbonyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 43562559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).