2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetic acid

C8H15NO3 — CID 7258525

IUPAC2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetic acid
SMILESC[C@@H]1CN(CC(=O)O)C[C@@H](C)O1
InChIInChI=1S/C8H15NO3/c1-6-3-9(5-8(10)11)4-7(2)12-6/h6-7H,3-5H2,1-2H3,(H,10,11)/t6-,7-/m1/s1
InChIKeyWKUYTGRCKMDKDV-RNFRBKRXSA-N
MW173.21 g/mol
LogP0.18
Rot. Bonds2

About 2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetic acid

2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetic acid (PubChem CID 7258525) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetic acid
PubChem CID7258525
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetic acid
SMILESC[C@@H]1CN(CC(=O)O)C[C@@H](C)O1
InChIInChI=1S/C8H15NO3/c1-6-3-9(5-8(10)11)4-7(2)12-6/h6-7H,3-5H2,1-2H3,(H,10,11)/t6-,7-/m1/s1
InChIKeyWKUYTGRCKMDKDV-RNFRBKRXSA-N
XLogP0.18
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Morpholineacetic acid
CID 438968
Ethyl 2-Morpholinoacetate
CID 2734105
4-(Carboxymethyl)-4-methylmorpholin-4-ium chloride
CID 44367147
Morpholinium, 4,4,6-trimethyl-2-oxo-, chloride (1:1)
CID 200864
Ethyl 2-(4-hydroxypiperidin-1-yl)acetate
CID 28837749
Methyl 2-(4-hydroxypiperidin-1-yl)acetate
CID 28837753
N-(2-Acetoxypropyl)morpholine
CID 22706844
6-(Hydroxymethyl)-4,4-dimethylmorpholin-4-ium-2-one
CID 3404687
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetic acid
CID 7258521
[(2R,6S)-2,6-Dimethylmorpholin-4-YL](oxo)acetic acid
CID 12051430
1-(2,6-Dimethylmorpholin-4-yl)propan-2-one
CID 19920056
2-[4-(2-Hydroxyethyl)morpholin-4-ium-4-yl]acetate
CID 23279655

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetic acid?
The IUPAC name of 2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetic acid (CID 7258525) is 2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetic acid.
What is the SMILES notation for 2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetic acid?
The canonical SMILES for 2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetic acid is C[C@@H]1CN(CC(=O)O)C[C@@H](C)O1.
What is the InChIKey of 2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetic acid?
The InChIKey is WKUYTGRCKMDKDV-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H15NO3/c1-6-3-9(5-8(10)11)4-7(2)12-6/h6-7H,3-5H2,1-2H3,(H,10,11)/t6-,7-/m1/s1.
What are the key properties of 2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetic acid?
2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetic acid has a molecular weight of 173.21 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetic acid is sourced from PubChem (CID 7258525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).