7-[(4-methylmorpholin-2-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid

C13H22N2O3 — CID 79182011

IUPAC7-[(4-methylmorpholin-2-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCN1CCOC(CN2C3CCC2C(C(=O)O)C3)C1
InChIInChI=1S/C13H22N2O3/c1-14-4-5-18-10(7-14)8-15-9-2-3-12(15)11(6-9)13(16)17/h9-12H,2-8H2,1H3,(H,16,17)
InChIKeyKIGWLKFIBFFLBZ-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.25
Rot. Bonds3

About 7-[(4-methylmorpholin-2-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid

7-[(4-methylmorpholin-2-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 79182011) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 7-[(4-methylmorpholin-2-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name7-[(4-methylmorpholin-2-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID79182011
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name7-[(4-methylmorpholin-2-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCN1CCOC(CN2C3CCC2C(C(=O)O)C3)C1
InChIInChI=1S/C13H22N2O3/c1-14-4-5-18-10(7-14)8-15-9-2-3-12(15)11(6-9)13(16)17/h9-12H,2-8H2,1H3,(H,16,17)
InChIKeyKIGWLKFIBFFLBZ-UHFFFAOYSA-N
XLogP0.25
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-[(5,5-dimethyloxolan-2-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 116522744
N-ethyl-8-[(4-methylmorpholin-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 79071084
1-[(4-methylmorpholin-2-yl)methyl]piperidine-4-carboxylic acid
CID 79182775
7-(4-methylsulfanylbutyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 103090473
2-[(4-methylmorpholin-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 113361141
1-[(4-ethylmorpholin-2-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 79171819
7-[2-(trifluoromethylsulfanyl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 116616811
4-[(4-methylmorpholin-2-yl)methyl]morpholine-2-carboxamide
CID 175806629
ethane;3-[(2R)-4-methylmorpholin-2-yl]propanoic acid
CID 145006678
N,N-dimethyl-2-(4-methylmorpholin-2-yl)acetamide
CID 143368869
7-(2-ethyl-2-hydroxybutyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 114494996
4-methyl-1-[(4-methylmorpholin-2-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 79071056

Frequently Asked Questions

What is the IUPAC name of 7-[(4-methylmorpholin-2-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of 7-[(4-methylmorpholin-2-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid (CID 79182011) is 7-[(4-methylmorpholin-2-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for 7-[(4-methylmorpholin-2-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for 7-[(4-methylmorpholin-2-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid is CN1CCOC(CN2C3CCC2C(C(=O)O)C3)C1.
What is the InChIKey of 7-[(4-methylmorpholin-2-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is KIGWLKFIBFFLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-14-4-5-18-10(7-14)8-15-9-2-3-12(15)11(6-9)13(16)17/h9-12H,2-8H2,1H3,(H,16,17).
What are the key properties of 7-[(4-methylmorpholin-2-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
7-[(4-methylmorpholin-2-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-methylmorpholin-2-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 79182011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).