4-[(2R)-oxolane-2-carbonyl]morpholine-3-carboxylic acid

C10H15NO5 — CID 104855782

IUPAC4-[(2R)-oxolane-2-carbonyl]morpholine-3-carboxylic acid
SMILESO=C(O)C1COCCN1C(=O)[C@H]1CCCO1
InChIInChI=1S/C10H15NO5/c12-9(8-2-1-4-16-8)11-3-5-15-6-7(11)10(13)14/h7-8H,1-6H2,(H,13,14)/t7?,8-/m1/s1
InChIKeyWZQZURZYKNVNEL-BRFYHDHCSA-N
MW229.23 g/mol
LogP-0.52
Rot. Bonds2

About 4-[(2R)-oxolane-2-carbonyl]morpholine-3-carboxylic acid

4-[(2R)-oxolane-2-carbonyl]morpholine-3-carboxylic acid (PubChem CID 104855782) has the molecular formula C10H15NO5 and a molecular weight of 229.23 g/mol. Its IUPAC name is 4-[(2R)-oxolane-2-carbonyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[(2R)-oxolane-2-carbonyl]morpholine-3-carboxylic acid
PubChem CID104855782
Molecular FormulaC10H15NO5
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Name4-[(2R)-oxolane-2-carbonyl]morpholine-3-carboxylic acid
SMILESO=C(O)C1COCCN1C(=O)[C@H]1CCCO1
InChIInChI=1S/C10H15NO5/c12-9(8-2-1-4-16-8)11-3-5-15-6-7(11)10(13)14/h7-8H,1-6H2,(H,13,14)/t7?,8-/m1/s1
InChIKeyWZQZURZYKNVNEL-BRFYHDHCSA-N
XLogP-0.52
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-oxolane-2-carbonyl]morpholine-3-carboxylic acid?
The IUPAC name of 4-[(2R)-oxolane-2-carbonyl]morpholine-3-carboxylic acid (CID 104855782) is 4-[(2R)-oxolane-2-carbonyl]morpholine-3-carboxylic acid.
What is the SMILES notation for 4-[(2R)-oxolane-2-carbonyl]morpholine-3-carboxylic acid?
The canonical SMILES for 4-[(2R)-oxolane-2-carbonyl]morpholine-3-carboxylic acid is O=C(O)C1COCCN1C(=O)[C@H]1CCCO1.
What is the InChIKey of 4-[(2R)-oxolane-2-carbonyl]morpholine-3-carboxylic acid?
The InChIKey is WZQZURZYKNVNEL-BRFYHDHCSA-N. The full InChI is InChI=1S/C10H15NO5/c12-9(8-2-1-4-16-8)11-3-5-15-6-7(11)10(13)14/h7-8H,1-6H2,(H,13,14)/t7?,8-/m1/s1.
What are the key properties of 4-[(2R)-oxolane-2-carbonyl]morpholine-3-carboxylic acid?
4-[(2R)-oxolane-2-carbonyl]morpholine-3-carboxylic acid has a molecular weight of 229.23 g/mol, XLogP of -0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-oxolane-2-carbonyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 104855782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).