2-(3,3-dimethylmorpholin-4-yl)acetic acid

C8H15NO3 — CID 57465005

IUPAC2-(3,3-dimethylmorpholin-4-yl)acetic acid
SMILESCC1(C)COCCN1CC(=O)O
InChIInChI=1S/C8H15NO3/c1-8(2)6-12-4-3-9(8)5-7(10)11/h3-6H2,1-2H3,(H,10,11)
InChIKeyCGBYSJVEDZCBBV-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.18
Rot. Bonds2

About 2-(3,3-dimethylmorpholin-4-yl)acetic acid

2-(3,3-dimethylmorpholin-4-yl)acetic acid (PubChem CID 57465005) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 2-(3,3-dimethylmorpholin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(3,3-dimethylmorpholin-4-yl)acetic acid
PubChem CID57465005
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name2-(3,3-dimethylmorpholin-4-yl)acetic acid
SMILESCC1(C)COCCN1CC(=O)O
InChIInChI=1S/C8H15NO3/c1-8(2)6-12-4-3-9(8)5-7(10)11/h3-6H2,1-2H3,(H,10,11)
InChIKeyCGBYSJVEDZCBBV-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylmorpholin-4-yl)acetic acid?
The IUPAC name of 2-(3,3-dimethylmorpholin-4-yl)acetic acid (CID 57465005) is 2-(3,3-dimethylmorpholin-4-yl)acetic acid.
What is the SMILES notation for 2-(3,3-dimethylmorpholin-4-yl)acetic acid?
The canonical SMILES for 2-(3,3-dimethylmorpholin-4-yl)acetic acid is CC1(C)COCCN1CC(=O)O.
What is the InChIKey of 2-(3,3-dimethylmorpholin-4-yl)acetic acid?
The InChIKey is CGBYSJVEDZCBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-8(2)6-12-4-3-9(8)5-7(10)11/h3-6H2,1-2H3,(H,10,11).
What are the key properties of 2-(3,3-dimethylmorpholin-4-yl)acetic acid?
2-(3,3-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-(3,3-dimethylmorpholin-4-yl)acetic acid is sourced from PubChem (CID 57465005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).