methyl 4-[2-oxo-2-(propylcarbamoylamino)ethyl]morpholine-3-carboxylate

C12H21N3O5 — CID 115670460

IUPACmethyl 4-[2-oxo-2-(propylcarbamoylamino)ethyl]morpholine-3-carboxylate
SMILESCCCNC(=O)NC(=O)CN1CCOCC1C(=O)OC
InChIInChI=1S/C12H21N3O5/c1-3-4-13-12(18)14-10(16)7-15-5-6-20-8-9(15)11(17)19-2/h9H,3-8H2,1-2H3,(H2,13,14,16,18)
InChIKeyHKRSAMWSMVOJRQ-UHFFFAOYSA-N
MW287.32 g/mol
LogP-0.90
Rot. Bonds5

About methyl 4-[2-oxo-2-(propylcarbamoylamino)ethyl]morpholine-3-carboxylate

methyl 4-[2-oxo-2-(propylcarbamoylamino)ethyl]morpholine-3-carboxylate (PubChem CID 115670460) has the molecular formula C12H21N3O5 and a molecular weight of 287.32 g/mol. Its IUPAC name is methyl 4-[2-oxo-2-(propylcarbamoylamino)ethyl]morpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-oxo-2-(propylcarbamoylamino)ethyl]morpholine-3-carboxylate
PubChem CID115670460
Molecular FormulaC12H21N3O5
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Namemethyl 4-[2-oxo-2-(propylcarbamoylamino)ethyl]morpholine-3-carboxylate
SMILESCCCNC(=O)NC(=O)CN1CCOCC1C(=O)OC
InChIInChI=1S/C12H21N3O5/c1-3-4-13-12(18)14-10(16)7-15-5-6-20-8-9(15)11(17)19-2/h9H,3-8H2,1-2H3,(H2,13,14,16,18)
InChIKeyHKRSAMWSMVOJRQ-UHFFFAOYSA-N
XLogP-0.90
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-oxo-2-(propylcarbamoylamino)ethyl]morpholine-3-carboxylate?
The IUPAC name of methyl 4-[2-oxo-2-(propylcarbamoylamino)ethyl]morpholine-3-carboxylate (CID 115670460) is methyl 4-[2-oxo-2-(propylcarbamoylamino)ethyl]morpholine-3-carboxylate.
What is the SMILES notation for methyl 4-[2-oxo-2-(propylcarbamoylamino)ethyl]morpholine-3-carboxylate?
The canonical SMILES for methyl 4-[2-oxo-2-(propylcarbamoylamino)ethyl]morpholine-3-carboxylate is CCCNC(=O)NC(=O)CN1CCOCC1C(=O)OC.
What is the InChIKey of methyl 4-[2-oxo-2-(propylcarbamoylamino)ethyl]morpholine-3-carboxylate?
The InChIKey is HKRSAMWSMVOJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O5/c1-3-4-13-12(18)14-10(16)7-15-5-6-20-8-9(15)11(17)19-2/h9H,3-8H2,1-2H3,(H2,13,14,16,18).
What are the key properties of methyl 4-[2-oxo-2-(propylcarbamoylamino)ethyl]morpholine-3-carboxylate?
methyl 4-[2-oxo-2-(propylcarbamoylamino)ethyl]morpholine-3-carboxylate has a molecular weight of 287.32 g/mol, XLogP of -0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-oxo-2-(propylcarbamoylamino)ethyl]morpholine-3-carboxylate is sourced from PubChem (CID 115670460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).