methyl 4-[3-(methylcarbamoylamino)-3-oxopropyl]morpholine-2-carboxylate

C11H19N3O5 — CID 78926490

IUPACmethyl 4-[3-(methylcarbamoylamino)-3-oxopropyl]morpholine-2-carboxylate
SMILESCNC(=O)NC(=O)CCN1CCOC(C(=O)OC)C1
InChIInChI=1S/C11H19N3O5/c1-12-11(17)13-9(15)3-4-14-5-6-19-8(7-14)10(16)18-2/h8H,3-7H2,1-2H3,(H2,12,13,15,17)
InChIKeyXZXDAIYCSHUREH-UHFFFAOYSA-N
MW273.29 g/mol
LogP-1.29
Rot. Bonds4

About methyl 4-[3-(methylcarbamoylamino)-3-oxopropyl]morpholine-2-carboxylate

methyl 4-[3-(methylcarbamoylamino)-3-oxopropyl]morpholine-2-carboxylate (PubChem CID 78926490) has the molecular formula C11H19N3O5 and a molecular weight of 273.29 g/mol. Its IUPAC name is methyl 4-[3-(methylcarbamoylamino)-3-oxopropyl]morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[3-(methylcarbamoylamino)-3-oxopropyl]morpholine-2-carboxylate
PubChem CID78926490
Molecular FormulaC11H19N3O5
Molecular Weight273.29 g/mol
Exact Mass273.13
IUPAC Namemethyl 4-[3-(methylcarbamoylamino)-3-oxopropyl]morpholine-2-carboxylate
SMILESCNC(=O)NC(=O)CCN1CCOC(C(=O)OC)C1
InChIInChI=1S/C11H19N3O5/c1-12-11(17)13-9(15)3-4-14-5-6-19-8(7-14)10(16)18-2/h8H,3-7H2,1-2H3,(H2,12,13,15,17)
InChIKeyXZXDAIYCSHUREH-UHFFFAOYSA-N
XLogP-1.29
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 5-1.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 4-[3-(methylcarbamoylamino)-3-oxopropyl]morpholine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-(methylcarbamoylamino)-3-oxopropyl]morpholine-2-carboxylate?
The IUPAC name of methyl 4-[3-(methylcarbamoylamino)-3-oxopropyl]morpholine-2-carboxylate (CID 78926490) is methyl 4-[3-(methylcarbamoylamino)-3-oxopropyl]morpholine-2-carboxylate.
What is the SMILES notation for methyl 4-[3-(methylcarbamoylamino)-3-oxopropyl]morpholine-2-carboxylate?
The canonical SMILES for methyl 4-[3-(methylcarbamoylamino)-3-oxopropyl]morpholine-2-carboxylate is CNC(=O)NC(=O)CCN1CCOC(C(=O)OC)C1.
What is the InChIKey of methyl 4-[3-(methylcarbamoylamino)-3-oxopropyl]morpholine-2-carboxylate?
The InChIKey is XZXDAIYCSHUREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O5/c1-12-11(17)13-9(15)3-4-14-5-6-19-8(7-14)10(16)18-2/h8H,3-7H2,1-2H3,(H2,12,13,15,17).
What are the key properties of methyl 4-[3-(methylcarbamoylamino)-3-oxopropyl]morpholine-2-carboxylate?
methyl 4-[3-(methylcarbamoylamino)-3-oxopropyl]morpholine-2-carboxylate has a molecular weight of 273.29 g/mol, XLogP of -1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-(methylcarbamoylamino)-3-oxopropyl]morpholine-2-carboxylate is sourced from PubChem (CID 78926490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).