2-methylpropyl 2-morpholin-4-yl-2-oxoacetate

C10H17NO4 — CID 6422269

IUPAC2-methylpropyl 2-morpholin-4-yl-2-oxoacetate
SMILESCC(C)COC(=O)C(=O)N1CCOCC1
InChIInChI=1S/C10H17NO4/c1-8(2)7-15-10(13)9(12)11-3-5-14-6-4-11/h8H,3-7H2,1-2H3
InChIKeyUOZGOFLYVKGPMC-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.04
Rot. Bonds2

About 2-methylpropyl 2-morpholin-4-yl-2-oxoacetate

2-methylpropyl 2-morpholin-4-yl-2-oxoacetate (PubChem CID 6422269) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-methylpropyl 2-morpholin-4-yl-2-oxoacetate.

Molecular Properties

Compound Name2-methylpropyl 2-morpholin-4-yl-2-oxoacetate
PubChem CID6422269
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name2-methylpropyl 2-morpholin-4-yl-2-oxoacetate
SMILESCC(C)COC(=O)C(=O)N1CCOCC1
InChIInChI=1S/C10H17NO4/c1-8(2)7-15-10(13)9(12)11-3-5-14-6-4-11/h8H,3-7H2,1-2H3
InChIKeyUOZGOFLYVKGPMC-UHFFFAOYSA-N
XLogP0.04
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-morpholin-4-yl-2-oxoacetate?
The IUPAC name of 2-methylpropyl 2-morpholin-4-yl-2-oxoacetate (CID 6422269) is 2-methylpropyl 2-morpholin-4-yl-2-oxoacetate.
What is the SMILES notation for 2-methylpropyl 2-morpholin-4-yl-2-oxoacetate?
The canonical SMILES for 2-methylpropyl 2-morpholin-4-yl-2-oxoacetate is CC(C)COC(=O)C(=O)N1CCOCC1.
What is the InChIKey of 2-methylpropyl 2-morpholin-4-yl-2-oxoacetate?
The InChIKey is UOZGOFLYVKGPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-8(2)7-15-10(13)9(12)11-3-5-14-6-4-11/h8H,3-7H2,1-2H3.
What are the key properties of 2-methylpropyl 2-morpholin-4-yl-2-oxoacetate?
2-methylpropyl 2-morpholin-4-yl-2-oxoacetate has a molecular weight of 215.25 g/mol, XLogP of 0.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-morpholin-4-yl-2-oxoacetate is sourced from PubChem (CID 6422269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).