tert-butyl 3-(methylaminomethyl)morpholine-4-carboxylate

C11H22N2O3 — CID 67090612

IUPACtert-butyl 3-(methylaminomethyl)morpholine-4-carboxylate
SMILESCNCC1COCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C11H22N2O3/c1-11(2,3)16-10(14)13-5-6-15-8-9(13)7-12-4/h9,12H,5-8H2,1-4H3
InChIKeyPYMSTMUJCKYFJO-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.84
Rot. Bonds2

About tert-butyl 3-(methylaminomethyl)morpholine-4-carboxylate

tert-butyl 3-(methylaminomethyl)morpholine-4-carboxylate (PubChem CID 67090612) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is tert-butyl 3-(methylaminomethyl)morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(methylaminomethyl)morpholine-4-carboxylate
PubChem CID67090612
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Nametert-butyl 3-(methylaminomethyl)morpholine-4-carboxylate
SMILESCNCC1COCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C11H22N2O3/c1-11(2,3)16-10(14)13-5-6-15-8-9(13)7-12-4/h9,12H,5-8H2,1-4H3
InChIKeyPYMSTMUJCKYFJO-UHFFFAOYSA-N
XLogP0.84
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(methylaminomethyl)morpholine-4-carboxylate?
The IUPAC name of tert-butyl 3-(methylaminomethyl)morpholine-4-carboxylate (CID 67090612) is tert-butyl 3-(methylaminomethyl)morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 3-(methylaminomethyl)morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 3-(methylaminomethyl)morpholine-4-carboxylate is CNCC1COCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-(methylaminomethyl)morpholine-4-carboxylate?
The InChIKey is PYMSTMUJCKYFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-11(2,3)16-10(14)13-5-6-15-8-9(13)7-12-4/h9,12H,5-8H2,1-4H3.
What are the key properties of tert-butyl 3-(methylaminomethyl)morpholine-4-carboxylate?
tert-butyl 3-(methylaminomethyl)morpholine-4-carboxylate has a molecular weight of 230.31 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(methylaminomethyl)morpholine-4-carboxylate is sourced from PubChem (CID 67090612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).