4,6-dimethylmorpholine-2-carboxylic acid

C7H13NO3 — CID 84716691

IUPAC4,6-dimethylmorpholine-2-carboxylic acid
SMILESCC1CN(C)CC(C(=O)O)O1
InChIInChI=1S/C7H13NO3/c1-5-3-8(2)4-6(11-5)7(9)10/h5-6H,3-4H2,1-2H3,(H,9,10)
InChIKeyIYZPBYMVNRKYGI-UHFFFAOYSA-N
MW159.18 g/mol
LogP-0.21
Rot. Bonds1

About 4,6-dimethylmorpholine-2-carboxylic acid

4,6-dimethylmorpholine-2-carboxylic acid (PubChem CID 84716691) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is 4,6-dimethylmorpholine-2-carboxylic acid.

Molecular Properties

Compound Name4,6-dimethylmorpholine-2-carboxylic acid
PubChem CID84716691
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name4,6-dimethylmorpholine-2-carboxylic acid
SMILESCC1CN(C)CC(C(=O)O)O1
InChIInChI=1S/C7H13NO3/c1-5-3-8(2)4-6(11-5)7(9)10/h5-6H,3-4H2,1-2H3,(H,9,10)
InChIKeyIYZPBYMVNRKYGI-UHFFFAOYSA-N
XLogP-0.21
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-[(tert-butoxy)carbonyl]morpholine-2-carboxylic acid
CID 1519383
4-((Tert-butoxy)carbonyl)morpholine-2-carboxylic acid
CID 2755965
(2R)-4-((tert-butoxy)carbonyl)morpholine-2-carboxylic acid
CID 6559076
Morpholine-2-carboxylic acid
CID 21899747
4-Acetylmorpholine-2-carboxylic acid
CID 20598078
Morpholine-2-carboxylic acid hydrochloride
CID 42614320
4-Methylmorpholine-2-carboxylic acid hydrochloride
CID 45480217
(S)-Morpholine-2-carboxylic acid hydrochloride
CID 56845341
(R)-4-(Tert-butoxycarbonyl)-6,6-dimethylmorpholine-2-carboxylic acid
CID 71742810
(2S)-4-((tert-butoxy)carbonyl)-6,6-dimethylmorpholine-2-carboxylic acid
CID 71742812
4-[(Tert-butoxy)carbonyl]-6,6-dimethylmorpholine-2-carboxylic acid
CID 71742817
(2R)-morpholine-2-carboxylic acid hydrochloride
CID 72206658

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethylmorpholine-2-carboxylic acid?
The IUPAC name of 4,6-dimethylmorpholine-2-carboxylic acid (CID 84716691) is 4,6-dimethylmorpholine-2-carboxylic acid.
What is the SMILES notation for 4,6-dimethylmorpholine-2-carboxylic acid?
The canonical SMILES for 4,6-dimethylmorpholine-2-carboxylic acid is CC1CN(C)CC(C(=O)O)O1.
What is the InChIKey of 4,6-dimethylmorpholine-2-carboxylic acid?
The InChIKey is IYZPBYMVNRKYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-5-3-8(2)4-6(11-5)7(9)10/h5-6H,3-4H2,1-2H3,(H,9,10).
What are the key properties of 4,6-dimethylmorpholine-2-carboxylic acid?
4,6-dimethylmorpholine-2-carboxylic acid has a molecular weight of 159.18 g/mol, XLogP of -0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethylmorpholine-2-carboxylic acid is sourced from PubChem (CID 84716691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).