2-(5-ethyl-2-methylmorpholin-4-yl)cyclobutane-1-carboxylic acid

C12H21NO3 — CID 80997359

IUPAC2-(5-ethyl-2-methylmorpholin-4-yl)cyclobutane-1-carboxylic acid
SMILESCCC1COC(C)CN1C1CCC1C(=O)O
InChIInChI=1S/C12H21NO3/c1-3-9-7-16-8(2)6-13(9)11-5-4-10(11)12(14)15/h8-11H,3-7H2,1-2H3,(H,14,15)
InChIKeyVDXVNCDTMMOQDA-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.35
Rot. Bonds3

About 2-(5-ethyl-2-methylmorpholin-4-yl)cyclobutane-1-carboxylic acid

2-(5-ethyl-2-methylmorpholin-4-yl)cyclobutane-1-carboxylic acid (PubChem CID 80997359) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 2-(5-ethyl-2-methylmorpholin-4-yl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-(5-ethyl-2-methylmorpholin-4-yl)cyclobutane-1-carboxylic acid
PubChem CID80997359
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name2-(5-ethyl-2-methylmorpholin-4-yl)cyclobutane-1-carboxylic acid
SMILESCCC1COC(C)CN1C1CCC1C(=O)O
InChIInChI=1S/C12H21NO3/c1-3-9-7-16-8(2)6-13(9)11-5-4-10(11)12(14)15/h8-11H,3-7H2,1-2H3,(H,14,15)
InChIKeyVDXVNCDTMMOQDA-UHFFFAOYSA-N
XLogP1.35
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethylmorpholin-4-yl)cyclobutane-1-carboxylic acid
CID 80997136
2-(2,5-dimethylmorpholin-4-yl)cycloheptane-1-carboxylic acid
CID 63069495
2-(5-ethyl-2-methylmorpholin-4-yl)cyclopentan-1-amine
CID 61424381
[4-ethyl-2-(5-ethyl-2-methylmorpholin-4-yl)cyclohexyl]methanamine
CID 43575807
1-(5-ethyl-2-methylmorpholine-4-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79382717
cyclopropyl-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 60645279
6-(5-ethyl-2-methylmorpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid
CID 43578297
2-(3-ethylmorpholin-4-yl)-4-methylcyclohexane-1-carboxylic acid
CID 63067425
[2-(5-ethyl-2-methylmorpholin-4-yl)-4-propylcyclohexyl]methanamine
CID 43575808
1-(5-ethyl-2-methylmorpholine-4-carbonyl)-4-methylpiperidine-2-carboxylic acid
CID 114425340
3-(5-ethyl-2-methylmorpholine-4-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 43578295
2-(3-ethyl-4-methylpiperazin-1-yl)cyclobutane-1-carboxylic acid
CID 80996398

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-2-methylmorpholin-4-yl)cyclobutane-1-carboxylic acid?
The IUPAC name of 2-(5-ethyl-2-methylmorpholin-4-yl)cyclobutane-1-carboxylic acid (CID 80997359) is 2-(5-ethyl-2-methylmorpholin-4-yl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-(5-ethyl-2-methylmorpholin-4-yl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-(5-ethyl-2-methylmorpholin-4-yl)cyclobutane-1-carboxylic acid is CCC1COC(C)CN1C1CCC1C(=O)O.
What is the InChIKey of 2-(5-ethyl-2-methylmorpholin-4-yl)cyclobutane-1-carboxylic acid?
The InChIKey is VDXVNCDTMMOQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-3-9-7-16-8(2)6-13(9)11-5-4-10(11)12(14)15/h8-11H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 2-(5-ethyl-2-methylmorpholin-4-yl)cyclobutane-1-carboxylic acid?
2-(5-ethyl-2-methylmorpholin-4-yl)cyclobutane-1-carboxylic acid has a molecular weight of 227.30 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-2-methylmorpholin-4-yl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 80997359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).