methyl 4-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]morpholine-2-carboxylate

C11H19N3O5 — CID 78926451

IUPACmethyl 4-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]morpholine-2-carboxylate
SMILESCNC(=O)NC(=O)C(C)N1CCOC(C(=O)OC)C1
InChIInChI=1S/C11H19N3O5/c1-7(9(15)13-11(17)12-2)14-4-5-19-8(6-14)10(16)18-3/h7-8H,4-6H2,1-3H3,(H2,12,13,15,17)
InChIKeyCTQXPCHMRFNKCJ-UHFFFAOYSA-N
MW273.29 g/mol
LogP-1.30
Rot. Bonds3

About methyl 4-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]morpholine-2-carboxylate

methyl 4-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]morpholine-2-carboxylate (PubChem CID 78926451) has the molecular formula C11H19N3O5 and a molecular weight of 273.29 g/mol. Its IUPAC name is methyl 4-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]morpholine-2-carboxylate
PubChem CID78926451
Molecular FormulaC11H19N3O5
Molecular Weight273.29 g/mol
Exact Mass273.13
IUPAC Namemethyl 4-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]morpholine-2-carboxylate
SMILESCNC(=O)NC(=O)C(C)N1CCOC(C(=O)OC)C1
InChIInChI=1S/C11H19N3O5/c1-7(9(15)13-11(17)12-2)14-4-5-19-8(6-14)10(16)18-3/h7-8H,4-6H2,1-3H3,(H2,12,13,15,17)
InChIKeyCTQXPCHMRFNKCJ-UHFFFAOYSA-N
XLogP-1.30
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 5-1.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 78920334
(2S)-2-[(2R)-2-(cyclopropanecarbonyl)morpholin-4-yl]-N-(propan-2-ylcarbamoyl)propanamide
CID 124729166
(2R)-N-methyl-4-[(2R)-1-oxo-1-(2,2,2-trifluoroethylcarbamoylamino)propan-2-yl]morpholine-2-carboxamide
CID 124741883
methyl 4-(4-aminobutan-2-yl)morpholine-2-carboxylate
CID 115533856
methyl 4-(2-chloropropanoylcarbamoyl)morpholine-2-carboxylate
CID 113330591
(2S)-2-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]-N-(methylcarbamoyl)propanamide
CID 95317625
methyl 2-[4-[1-(methylamino)-1-oxopropan-2-yl]morpholin-2-yl]acetate
CID 79822708
2-(3-aminoazetidin-1-yl)-N-(methylcarbamoyl)propanamide
CID 63761122
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)propanamide
CID 112630269
2-[4-(methylamino)piperidin-1-yl]-N-(methylcarbamoyl)propanamide
CID 60820303
2-(3,5-dimethylpiperidin-1-yl)-N-(methylcarbamoyl)propanamide
CID 51170713
2-(4-amino-3-methylpiperidin-1-yl)-N-(methylcarbamoyl)propanamide
CID 79867465

Frequently Asked Questions

What is the IUPAC name of methyl 4-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]morpholine-2-carboxylate?
The IUPAC name of methyl 4-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]morpholine-2-carboxylate (CID 78926451) is methyl 4-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]morpholine-2-carboxylate.
What is the SMILES notation for methyl 4-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]morpholine-2-carboxylate?
The canonical SMILES for methyl 4-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]morpholine-2-carboxylate is CNC(=O)NC(=O)C(C)N1CCOC(C(=O)OC)C1.
What is the InChIKey of methyl 4-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]morpholine-2-carboxylate?
The InChIKey is CTQXPCHMRFNKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O5/c1-7(9(15)13-11(17)12-2)14-4-5-19-8(6-14)10(16)18-3/h7-8H,4-6H2,1-3H3,(H2,12,13,15,17).
What are the key properties of methyl 4-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]morpholine-2-carboxylate?
methyl 4-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]morpholine-2-carboxylate has a molecular weight of 273.29 g/mol, XLogP of -1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]morpholine-2-carboxylate is sourced from PubChem (CID 78926451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).