methyl 3-methyl-2-(morpholine-4-carbonylamino)butanoate

C11H20N2O4 — CID 3702933

IUPACmethyl 3-methyl-2-(morpholine-4-carbonylamino)butanoate
SMILESCOC(=O)C(NC(=O)N1CCOCC1)C(C)C
InChIInChI=1S/C11H20N2O4/c1-8(2)9(10(14)16-3)12-11(15)13-4-6-17-7-5-13/h8-9H,4-7H2,1-3H3,(H,12,15)
InChIKeyJYMZGDMFZXZAED-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.23
Rot. Bonds3

About methyl 3-methyl-2-(morpholine-4-carbonylamino)butanoate

methyl 3-methyl-2-(morpholine-4-carbonylamino)butanoate (PubChem CID 3702933) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is methyl 3-methyl-2-(morpholine-4-carbonylamino)butanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-(morpholine-4-carbonylamino)butanoate
PubChem CID3702933
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Namemethyl 3-methyl-2-(morpholine-4-carbonylamino)butanoate
SMILESCOC(=O)C(NC(=O)N1CCOCC1)C(C)C
InChIInChI=1S/C11H20N2O4/c1-8(2)9(10(14)16-3)12-11(15)13-4-6-17-7-5-13/h8-9H,4-7H2,1-3H3,(H,12,15)
InChIKeyJYMZGDMFZXZAED-UHFFFAOYSA-N
XLogP0.23
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-(morpholine-4-carbonylamino)butanoate?
The IUPAC name of methyl 3-methyl-2-(morpholine-4-carbonylamino)butanoate (CID 3702933) is methyl 3-methyl-2-(morpholine-4-carbonylamino)butanoate.
What is the SMILES notation for methyl 3-methyl-2-(morpholine-4-carbonylamino)butanoate?
The canonical SMILES for methyl 3-methyl-2-(morpholine-4-carbonylamino)butanoate is COC(=O)C(NC(=O)N1CCOCC1)C(C)C.
What is the InChIKey of methyl 3-methyl-2-(morpholine-4-carbonylamino)butanoate?
The InChIKey is JYMZGDMFZXZAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-8(2)9(10(14)16-3)12-11(15)13-4-6-17-7-5-13/h8-9H,4-7H2,1-3H3,(H,12,15).
What are the key properties of methyl 3-methyl-2-(morpholine-4-carbonylamino)butanoate?
methyl 3-methyl-2-(morpholine-4-carbonylamino)butanoate has a molecular weight of 244.29 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-(morpholine-4-carbonylamino)butanoate is sourced from PubChem (CID 3702933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).