3-morpholin-4-ylbicyclo[1.1.1]pentane-1-carboxylic acid

C10H15NO3 — CID 135185697

IUPAC3-morpholin-4-ylbicyclo[1.1.1]pentane-1-carboxylic acid
SMILESO=C(O)C12CC(N3CCOCC3)(C1)C2
InChIInChI=1S/C10H15NO3/c12-8(13)9-5-10(6-9,7-9)11-1-3-14-4-2-11/h1-7H2,(H,12,13)
InChIKeyNDGKAVBODCAAEV-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.33
Rot. Bonds2

About 3-morpholin-4-ylbicyclo[1.1.1]pentane-1-carboxylic acid

3-morpholin-4-ylbicyclo[1.1.1]pentane-1-carboxylic acid (PubChem CID 135185697) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 3-morpholin-4-ylbicyclo[1.1.1]pentane-1-carboxylic acid.

Molecular Properties

Compound Name3-morpholin-4-ylbicyclo[1.1.1]pentane-1-carboxylic acid
PubChem CID135185697
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name3-morpholin-4-ylbicyclo[1.1.1]pentane-1-carboxylic acid
SMILESO=C(O)C12CC(N3CCOCC3)(C1)C2
InChIInChI=1S/C10H15NO3/c12-8(13)9-5-10(6-9,7-9)11-1-3-14-4-2-11/h1-7H2,(H,12,13)
InChIKeyNDGKAVBODCAAEV-UHFFFAOYSA-N
XLogP0.33
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ylbicyclo[1.1.1]pentane-1-carboxylic acid?
The IUPAC name of 3-morpholin-4-ylbicyclo[1.1.1]pentane-1-carboxylic acid (CID 135185697) is 3-morpholin-4-ylbicyclo[1.1.1]pentane-1-carboxylic acid.
What is the SMILES notation for 3-morpholin-4-ylbicyclo[1.1.1]pentane-1-carboxylic acid?
The canonical SMILES for 3-morpholin-4-ylbicyclo[1.1.1]pentane-1-carboxylic acid is O=C(O)C12CC(N3CCOCC3)(C1)C2.
What is the InChIKey of 3-morpholin-4-ylbicyclo[1.1.1]pentane-1-carboxylic acid?
The InChIKey is NDGKAVBODCAAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c12-8(13)9-5-10(6-9,7-9)11-1-3-14-4-2-11/h1-7H2,(H,12,13).
What are the key properties of 3-morpholin-4-ylbicyclo[1.1.1]pentane-1-carboxylic acid?
3-morpholin-4-ylbicyclo[1.1.1]pentane-1-carboxylic acid has a molecular weight of 197.23 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ylbicyclo[1.1.1]pentane-1-carboxylic acid is sourced from PubChem (CID 135185697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).