3,3-dimethylmorpholine-4-carboxylic acid

C7H13NO3 — CID 68974001

IUPAC3,3-dimethylmorpholine-4-carboxylic acid
SMILESCC1(C)COCCN1C(=O)O
InChIInChI=1S/C7H13NO3/c1-7(2)5-11-4-3-8(7)6(9)10/h3-5H2,1-2H3,(H,9,10)
InChIKeyRUKOCZPFIKVRBG-UHFFFAOYSA-N
MW159.18 g/mol
LogP0.78
Rot. Bonds

About 3,3-dimethylmorpholine-4-carboxylic acid

3,3-dimethylmorpholine-4-carboxylic acid (PubChem CID 68974001) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is 3,3-dimethylmorpholine-4-carboxylic acid.

Molecular Properties

Compound Name3,3-dimethylmorpholine-4-carboxylic acid
PubChem CID68974001
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name3,3-dimethylmorpholine-4-carboxylic acid
SMILESCC1(C)COCCN1C(=O)O
InChIInChI=1S/C7H13NO3/c1-7(2)5-11-4-3-8(7)6(9)10/h3-5H2,1-2H3,(H,9,10)
InChIKeyRUKOCZPFIKVRBG-UHFFFAOYSA-N
XLogP0.78
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 ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylmorpholine-4-carboxylic acid?
The IUPAC name of 3,3-dimethylmorpholine-4-carboxylic acid (CID 68974001) is 3,3-dimethylmorpholine-4-carboxylic acid.
What is the SMILES notation for 3,3-dimethylmorpholine-4-carboxylic acid?
The canonical SMILES for 3,3-dimethylmorpholine-4-carboxylic acid is CC1(C)COCCN1C(=O)O.
What is the InChIKey of 3,3-dimethylmorpholine-4-carboxylic acid?
The InChIKey is RUKOCZPFIKVRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-7(2)5-11-4-3-8(7)6(9)10/h3-5H2,1-2H3,(H,9,10).
What are the key properties of 3,3-dimethylmorpholine-4-carboxylic acid?
3,3-dimethylmorpholine-4-carboxylic acid has a molecular weight of 159.18 g/mol, XLogP of 0.78, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylmorpholine-4-carboxylic acid is sourced from PubChem (CID 68974001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).