4-[7-azabicyclo[2.2.1]heptane-2-carbonyl(methyl)amino]oxolane-3-carboxylic acid

C13H20N2O4 — CID 66236007

IUPAC4-[7-azabicyclo[2.2.1]heptane-2-carbonyl(methyl)amino]oxolane-3-carboxylic acid
SMILESCN(C(=O)C1CC2CCC1N2)C1COCC1C(=O)O
InChIInChI=1S/C13H20N2O4/c1-15(11-6-19-5-9(11)13(17)18)12(16)8-4-7-2-3-10(8)14-7/h7-11,14H,2-6H2,1H3,(H,17,18)
InChIKeyMPCGLSDUVXUHES-UHFFFAOYSA-N
MW268.31 g/mol
LogP-0.32
Rot. Bonds3

About 4-[7-azabicyclo[2.2.1]heptane-2-carbonyl(methyl)amino]oxolane-3-carboxylic acid

4-[7-azabicyclo[2.2.1]heptane-2-carbonyl(methyl)amino]oxolane-3-carboxylic acid (PubChem CID 66236007) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 4-[7-azabicyclo[2.2.1]heptane-2-carbonyl(methyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[7-azabicyclo[2.2.1]heptane-2-carbonyl(methyl)amino]oxolane-3-carboxylic acid
PubChem CID66236007
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name4-[7-azabicyclo[2.2.1]heptane-2-carbonyl(methyl)amino]oxolane-3-carboxylic acid
SMILESCN(C(=O)C1CC2CCC1N2)C1COCC1C(=O)O
InChIInChI=1S/C13H20N2O4/c1-15(11-6-19-5-9(11)13(17)18)12(16)8-4-7-2-3-10(8)14-7/h7-11,14H,2-6H2,1H3,(H,17,18)
InChIKeyMPCGLSDUVXUHES-UHFFFAOYSA-N
XLogP-0.32
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[methyl-(2-methylcyclopropanecarbonyl)amino]oxolane-3-carboxylic acid
CID 66236548
4-[methyl-(2-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid
CID 107175661
4-[cyclooctanecarbonyl(methyl)amino]oxolane-3-carboxylic acid
CID 66236752
4-[cyclohex-3-ene-1-carbonyl(methyl)amino]oxolane-3-carboxylic acid
CID 66235925
(1S,2R,5S)-8-azabicyclo[3.2.1]octane-2-carboxylic acid;hydrochloride
CID 133268759
4-[methyl-[methyl-(2-methylcyclohexyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66266721
4-[2-cyclopropylpropanoyl(methyl)amino]oxolane-3-carboxylic acid
CID 83146395
4-[cyclobutylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66266130
4-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]-methylamino]oxolane-3-carboxylic acid
CID 104967966
4-[cyclopentylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66265694
N-methyl-N-(2-propan-2-yloxyethyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 81055923
4-[(4,4-dimethylcyclohexyl)-methylamino]oxolane-3-carboxylic acid
CID 66267283

Frequently Asked Questions

What is the IUPAC name of 4-[7-azabicyclo[2.2.1]heptane-2-carbonyl(methyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[7-azabicyclo[2.2.1]heptane-2-carbonyl(methyl)amino]oxolane-3-carboxylic acid (CID 66236007) is 4-[7-azabicyclo[2.2.1]heptane-2-carbonyl(methyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[7-azabicyclo[2.2.1]heptane-2-carbonyl(methyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[7-azabicyclo[2.2.1]heptane-2-carbonyl(methyl)amino]oxolane-3-carboxylic acid is CN(C(=O)C1CC2CCC1N2)C1COCC1C(=O)O.
What is the InChIKey of 4-[7-azabicyclo[2.2.1]heptane-2-carbonyl(methyl)amino]oxolane-3-carboxylic acid?
The InChIKey is MPCGLSDUVXUHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-15(11-6-19-5-9(11)13(17)18)12(16)8-4-7-2-3-10(8)14-7/h7-11,14H,2-6H2,1H3,(H,17,18).
What are the key properties of 4-[7-azabicyclo[2.2.1]heptane-2-carbonyl(methyl)amino]oxolane-3-carboxylic acid?
4-[7-azabicyclo[2.2.1]heptane-2-carbonyl(methyl)amino]oxolane-3-carboxylic acid has a molecular weight of 268.31 g/mol, XLogP of -0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-azabicyclo[2.2.1]heptane-2-carbonyl(methyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66236007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).