4-propan-2-ylmorpholine-2-carboxylic acid;hydrochloride

C8H16ClNO3 — CID 86812236

IUPAC4-propan-2-ylmorpholine-2-carboxylic acid;hydrochloride
SMILESCC(C)N1CCOC(C(=O)O)C1.Cl
InChIInChI=1S/C8H15NO3.ClH/c1-6(2)9-3-4-12-7(5-9)8(10)11;/h6-7H,3-5H2,1-2H3,(H,10,11);1H
InChIKeyFVAXVUHCZLQJIT-UHFFFAOYSA-N
MW209.67 g/mol
LogP0.60
Rot. Bonds2

About 4-propan-2-ylmorpholine-2-carboxylic acid;hydrochloride

4-propan-2-ylmorpholine-2-carboxylic acid;hydrochloride (PubChem CID 86812236) has the molecular formula C8H16ClNO3 and a molecular weight of 209.67 g/mol. Its IUPAC name is 4-propan-2-ylmorpholine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-propan-2-ylmorpholine-2-carboxylic acid;hydrochloride
PubChem CID86812236
Molecular FormulaC8H16ClNO3
Molecular Weight209.67 g/mol
Exact Mass209.08
IUPAC Name4-propan-2-ylmorpholine-2-carboxylic acid;hydrochloride
SMILESCC(C)N1CCOC(C(=O)O)C1.Cl
InChIInChI=1S/C8H15NO3.ClH/c1-6(2)9-3-4-12-7(5-9)8(10)11;/h6-7H,3-5H2,1-2H3,(H,10,11);1H
InChIKeyFVAXVUHCZLQJIT-UHFFFAOYSA-N
XLogP0.60
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.67
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-ylmorpholine-2-carboxylic acid;hydrochloride?
The IUPAC name of 4-propan-2-ylmorpholine-2-carboxylic acid;hydrochloride (CID 86812236) is 4-propan-2-ylmorpholine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-propan-2-ylmorpholine-2-carboxylic acid;hydrochloride?
The canonical SMILES for 4-propan-2-ylmorpholine-2-carboxylic acid;hydrochloride is CC(C)N1CCOC(C(=O)O)C1.Cl.
What is the InChIKey of 4-propan-2-ylmorpholine-2-carboxylic acid;hydrochloride?
The InChIKey is FVAXVUHCZLQJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3.ClH/c1-6(2)9-3-4-12-7(5-9)8(10)11;/h6-7H,3-5H2,1-2H3,(H,10,11);1H.
What are the key properties of 4-propan-2-ylmorpholine-2-carboxylic acid;hydrochloride?
4-propan-2-ylmorpholine-2-carboxylic acid;hydrochloride has a molecular weight of 209.67 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylmorpholine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 86812236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).