2,2-dimethylpropyl 2-(morpholine-4-carbonylamino)acetate

C12H22N2O4 — CID 22063121

IUPAC2,2-dimethylpropyl 2-(morpholine-4-carbonylamino)acetate
SMILESCC(C)(C)COC(=O)CNC(=O)N1CCOCC1
InChIInChI=1S/C12H22N2O4/c1-12(2,3)9-18-10(15)8-13-11(16)14-4-6-17-7-5-14/h4-9H2,1-3H3,(H,13,16)
InChIKeyFKJVJOMSXRKKHO-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.62
Rot. Bonds3

About 2,2-dimethylpropyl 2-(morpholine-4-carbonylamino)acetate

2,2-dimethylpropyl 2-(morpholine-4-carbonylamino)acetate (PubChem CID 22063121) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2,2-dimethylpropyl 2-(morpholine-4-carbonylamino)acetate.

Molecular Properties

Compound Name2,2-dimethylpropyl 2-(morpholine-4-carbonylamino)acetate
PubChem CID22063121
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name2,2-dimethylpropyl 2-(morpholine-4-carbonylamino)acetate
SMILESCC(C)(C)COC(=O)CNC(=O)N1CCOCC1
InChIInChI=1S/C12H22N2O4/c1-12(2,3)9-18-10(15)8-13-11(16)14-4-6-17-7-5-14/h4-9H2,1-3H3,(H,13,16)
InChIKeyFKJVJOMSXRKKHO-UHFFFAOYSA-N
XLogP0.62
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropyl 2-(morpholine-4-carbonylamino)acetate?
The IUPAC name of 2,2-dimethylpropyl 2-(morpholine-4-carbonylamino)acetate (CID 22063121) is 2,2-dimethylpropyl 2-(morpholine-4-carbonylamino)acetate.
What is the SMILES notation for 2,2-dimethylpropyl 2-(morpholine-4-carbonylamino)acetate?
The canonical SMILES for 2,2-dimethylpropyl 2-(morpholine-4-carbonylamino)acetate is CC(C)(C)COC(=O)CNC(=O)N1CCOCC1.
What is the InChIKey of 2,2-dimethylpropyl 2-(morpholine-4-carbonylamino)acetate?
The InChIKey is FKJVJOMSXRKKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-12(2,3)9-18-10(15)8-13-11(16)14-4-6-17-7-5-14/h4-9H2,1-3H3,(H,13,16).
What are the key properties of 2,2-dimethylpropyl 2-(morpholine-4-carbonylamino)acetate?
2,2-dimethylpropyl 2-(morpholine-4-carbonylamino)acetate has a molecular weight of 258.32 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropyl 2-(morpholine-4-carbonylamino)acetate is sourced from PubChem (CID 22063121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).