4-methylmorpholine-2-carboxylic acid;hydrochloride

C6H12ClNO3 — CID 45480217

IUPAC4-methylmorpholine-2-carboxylic acid;hydrochloride
SMILESCN1CCOC(C(=O)O)C1.Cl
InChIInChI=1S/C6H11NO3.ClH/c1-7-2-3-10-5(4-7)6(8)9;/h5H,2-4H2,1H3,(H,8,9);1H
InChIKeyHWHCYNGGRABGQT-UHFFFAOYSA-N
MW181.62 g/mol
LogP-0.18
Rot. Bonds1

About 4-methylmorpholine-2-carboxylic acid;hydrochloride

4-methylmorpholine-2-carboxylic acid;hydrochloride (PubChem CID 45480217) has the molecular formula C6H12ClNO3 and a molecular weight of 181.62 g/mol. Its IUPAC name is 4-methylmorpholine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-methylmorpholine-2-carboxylic acid;hydrochloride
PubChem CID45480217
Molecular FormulaC6H12ClNO3
Molecular Weight181.62 g/mol
Exact Mass181.05
IUPAC Name4-methylmorpholine-2-carboxylic acid;hydrochloride
SMILESCN1CCOC(C(=O)O)C1.Cl
InChIInChI=1S/C6H11NO3.ClH/c1-7-2-3-10-5(4-7)6(8)9;/h5H,2-4H2,1H3,(H,8,9);1H
InChIKeyHWHCYNGGRABGQT-UHFFFAOYSA-N
XLogP-0.18
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.62
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Morpholine-2-carboxylic acid
CID 21899747
4-Acetylmorpholine-2-carboxylic acid
CID 20598078
Morpholine-2-carboxylic acid hydrochloride
CID 42614320
(S)-Morpholine-2-carboxylic acid hydrochloride
CID 56845341
(2R)-morpholine-2-carboxylic acid hydrochloride
CID 72206658
4-Ethylmorpholine-2-carboxylic acid hydrochloride
CID 54595624
4-(Propan-2-yl)morpholine-2-carboxylic acid hydrochloride
CID 86812236
2-Methylmorpholine-2-carboxylic acid hydrochloride
CID 132343936
(2R)-2-[2-(dimethylamino)ethoxy]propanoic acid hydrochloride
CID 137943497
5,5-Dimethylmorpholine-2-carboxylic acid hydrochloride
CID 137944230
(2R,5R)-5-methylmorpholine-2-carboxylic acid hydrochloride
CID 155290404
(2S,5S)-5-Methylmorpholine-2-carboxylic acid hydrochloride
CID 155290777

Frequently Asked Questions

What is the IUPAC name of 4-methylmorpholine-2-carboxylic acid;hydrochloride?
The IUPAC name of 4-methylmorpholine-2-carboxylic acid;hydrochloride (CID 45480217) is 4-methylmorpholine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-methylmorpholine-2-carboxylic acid;hydrochloride?
The canonical SMILES for 4-methylmorpholine-2-carboxylic acid;hydrochloride is CN1CCOC(C(=O)O)C1.Cl.
What is the InChIKey of 4-methylmorpholine-2-carboxylic acid;hydrochloride?
The InChIKey is HWHCYNGGRABGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3.ClH/c1-7-2-3-10-5(4-7)6(8)9;/h5H,2-4H2,1H3,(H,8,9);1H.
What are the key properties of 4-methylmorpholine-2-carboxylic acid;hydrochloride?
4-methylmorpholine-2-carboxylic acid;hydrochloride has a molecular weight of 181.62 g/mol, XLogP of -0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylmorpholine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 45480217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).