3,3-dimethylmorpholine-4-carboxylic acid;hydrochloride

C7H14ClNO3 — CID 68974000

IUPAC3,3-dimethylmorpholine-4-carboxylic acid;hydrochloride
SMILESCC1(C)COCCN1C(=O)O.Cl
InChIInChI=1S/C7H13NO3.ClH/c1-7(2)5-11-4-3-8(7)6(9)10;/h3-5H2,1-2H3,(H,9,10);1H
InChIKeyRULJZGHXGQXEGU-UHFFFAOYSA-N
MW195.65 g/mol
LogP1.20
Rot. Bonds

About 3,3-dimethylmorpholine-4-carboxylic acid;hydrochloride

3,3-dimethylmorpholine-4-carboxylic acid;hydrochloride (PubChem CID 68974000) has the molecular formula C7H14ClNO3 and a molecular weight of 195.65 g/mol. Its IUPAC name is 3,3-dimethylmorpholine-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name3,3-dimethylmorpholine-4-carboxylic acid;hydrochloride
PubChem CID68974000
Molecular FormulaC7H14ClNO3
Molecular Weight195.65 g/mol
Exact Mass195.07
IUPAC Name3,3-dimethylmorpholine-4-carboxylic acid;hydrochloride
SMILESCC1(C)COCCN1C(=O)O.Cl
InChIInChI=1S/C7H13NO3.ClH/c1-7(2)5-11-4-3-8(7)6(9)10;/h3-5H2,1-2H3,(H,9,10);1H
InChIKeyRULJZGHXGQXEGU-UHFFFAOYSA-N
XLogP1.20
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylmorpholine-4-carboxylic acid;hydrochloride?
The IUPAC name of 3,3-dimethylmorpholine-4-carboxylic acid;hydrochloride (CID 68974000) is 3,3-dimethylmorpholine-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 3,3-dimethylmorpholine-4-carboxylic acid;hydrochloride?
The canonical SMILES for 3,3-dimethylmorpholine-4-carboxylic acid;hydrochloride is CC1(C)COCCN1C(=O)O.Cl.
What is the InChIKey of 3,3-dimethylmorpholine-4-carboxylic acid;hydrochloride?
The InChIKey is RULJZGHXGQXEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3.ClH/c1-7(2)5-11-4-3-8(7)6(9)10;/h3-5H2,1-2H3,(H,9,10);1H.
What are the key properties of 3,3-dimethylmorpholine-4-carboxylic acid;hydrochloride?
3,3-dimethylmorpholine-4-carboxylic acid;hydrochloride has a molecular weight of 195.65 g/mol, XLogP of 1.20, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylmorpholine-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 68974000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).