(2S,6S)-2,6-dimethylmorpholine-4-carboxylic acid

C7H13NO3 — CID 137442866

IUPAC(2S,6S)-2,6-dimethylmorpholine-4-carboxylic acid
SMILESC[C@H]1CN(C(=O)O)C[C@H](C)O1
InChIInChI=1S/C7H13NO3/c1-5-3-8(7(9)10)4-6(2)11-5/h5-6H,3-4H2,1-2H3,(H,9,10)/t5-,6-/m0/s1
InChIKeyRGWNKCUDJZLQOK-WDSKDSINSA-N
MW159.18 g/mol
LogP0.77
Rot. Bonds

About (2S,6S)-2,6-dimethylmorpholine-4-carboxylic acid

(2S,6S)-2,6-dimethylmorpholine-4-carboxylic acid (PubChem CID 137442866) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is (2S,6S)-2,6-dimethylmorpholine-4-carboxylic acid.

Molecular Properties

Compound Name(2S,6S)-2,6-dimethylmorpholine-4-carboxylic acid
PubChem CID137442866
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name(2S,6S)-2,6-dimethylmorpholine-4-carboxylic acid
SMILESC[C@H]1CN(C(=O)O)C[C@H](C)O1
InChIInChI=1S/C7H13NO3/c1-5-3-8(7(9)10)4-6(2)11-5/h5-6H,3-4H2,1-2H3,(H,9,10)/t5-,6-/m0/s1
InChIKeyRGWNKCUDJZLQOK-WDSKDSINSA-N
XLogP0.77
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dimethylmorpholine-4-carboxylic acid
CID 22047773
1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 3361054
2,6-dimethylmorpholine-4-carbonyl chloride
CID 19080228
1-(2,6-dimethylmorpholin-4-yl)propane-1,2-dione
CID 131176238
2-(2,7-dimethyl-1,4-oxazepan-4-yl)-2-oxoacetic acid
CID 164644909
trans-(1S,2S)-2-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]cyclopropane-1-carboxylic acid
CID 124574972
4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]cyclohexane-1-carboxylic acid
CID 98555777
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-pyrrolidin-1-ylmethanone
CID 103931869
[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanium
CID 153278899
2-bromo-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethanone
CID 53216148
2-[1-(2,6-dimethylmorpholine-4-carbonyl)azetidin-3-yl]acetic acid
CID 64618204
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-2,6-dimethylmorpholine-4-carboxylic acid?
The IUPAC name of (2S,6S)-2,6-dimethylmorpholine-4-carboxylic acid (CID 137442866) is (2S,6S)-2,6-dimethylmorpholine-4-carboxylic acid.
What is the SMILES notation for (2S,6S)-2,6-dimethylmorpholine-4-carboxylic acid?
The canonical SMILES for (2S,6S)-2,6-dimethylmorpholine-4-carboxylic acid is C[C@H]1CN(C(=O)O)C[C@H](C)O1.
What is the InChIKey of (2S,6S)-2,6-dimethylmorpholine-4-carboxylic acid?
The InChIKey is RGWNKCUDJZLQOK-WDSKDSINSA-N. The full InChI is InChI=1S/C7H13NO3/c1-5-3-8(7(9)10)4-6(2)11-5/h5-6H,3-4H2,1-2H3,(H,9,10)/t5-,6-/m0/s1.
What are the key properties of (2S,6S)-2,6-dimethylmorpholine-4-carboxylic acid?
(2S,6S)-2,6-dimethylmorpholine-4-carboxylic acid has a molecular weight of 159.18 g/mol, XLogP of 0.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2,6-dimethylmorpholine-4-carboxylic acid is sourced from PubChem (CID 137442866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).