7-(morpholin-4-ylcarbamoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid

C12H19N3O4 — CID 83019769

IUPAC7-(morpholin-4-ylcarbamoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
SMILESO=C(O)C1CC2CCC1N2C(=O)NN1CCOCC1
InChIInChI=1S/C12H19N3O4/c16-11(17)9-7-8-1-2-10(9)15(8)12(18)13-14-3-5-19-6-4-14/h8-10H,1-7H2,(H,13,18)(H,16,17)
InChIKeyXRZVXGQXZCEFNH-UHFFFAOYSA-N
MW269.30 g/mol
LogP-0.12
Rot. Bonds2

About 7-(morpholin-4-ylcarbamoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid

7-(morpholin-4-ylcarbamoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 83019769) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 7-(morpholin-4-ylcarbamoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name7-(morpholin-4-ylcarbamoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID83019769
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name7-(morpholin-4-ylcarbamoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
SMILESO=C(O)C1CC2CCC1N2C(=O)NN1CCOCC1
InChIInChI=1S/C12H19N3O4/c16-11(17)9-7-8-1-2-10(9)15(8)12(18)13-14-3-5-19-6-4-14/h8-10H,1-7H2,(H,13,18)(H,16,17)
InChIKeyXRZVXGQXZCEFNH-UHFFFAOYSA-N
XLogP-0.12
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(morpholin-4-ylcarbamoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of 7-(morpholin-4-ylcarbamoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid (CID 83019769) is 7-(morpholin-4-ylcarbamoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for 7-(morpholin-4-ylcarbamoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for 7-(morpholin-4-ylcarbamoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid is O=C(O)C1CC2CCC1N2C(=O)NN1CCOCC1.
What is the InChIKey of 7-(morpholin-4-ylcarbamoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is XRZVXGQXZCEFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c16-11(17)9-7-8-1-2-10(9)15(8)12(18)13-14-3-5-19-6-4-14/h8-10H,1-7H2,(H,13,18)(H,16,17).
What are the key properties of 7-(morpholin-4-ylcarbamoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
7-(morpholin-4-ylcarbamoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 269.30 g/mol, XLogP of -0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(morpholin-4-ylcarbamoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 83019769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).