tert-butyl 2-[methoxy(methyl)carbamoyl]morpholine-4-carboxylate

C12H22N2O5 — CID 57449675

IUPACtert-butyl 2-[methoxy(methyl)carbamoyl]morpholine-4-carboxylate
SMILESCON(C)C(=O)C1CN(C(=O)OC(C)(C)C)CCO1
InChIInChI=1S/C12H22N2O5/c1-12(2,3)19-11(16)14-6-7-18-9(8-14)10(15)13(4)17-5/h9H,6-8H2,1-5H3
InChIKeyKLTDXKJVANISAN-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.64
Rot. Bonds2

About tert-butyl 2-[methoxy(methyl)carbamoyl]morpholine-4-carboxylate

tert-butyl 2-[methoxy(methyl)carbamoyl]morpholine-4-carboxylate (PubChem CID 57449675) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is tert-butyl 2-[methoxy(methyl)carbamoyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[methoxy(methyl)carbamoyl]morpholine-4-carboxylate
PubChem CID57449675
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC Nametert-butyl 2-[methoxy(methyl)carbamoyl]morpholine-4-carboxylate
SMILESCON(C)C(=O)C1CN(C(=O)OC(C)(C)C)CCO1
InChIInChI=1S/C12H22N2O5/c1-12(2,3)19-11(16)14-6-7-18-9(8-14)10(15)13(4)17-5/h9H,6-8H2,1-5H3
InChIKeyKLTDXKJVANISAN-UHFFFAOYSA-N
XLogP0.64
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[methoxy(methyl)carbamoyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl 2-[methoxy(methyl)carbamoyl]morpholine-4-carboxylate (CID 57449675) is tert-butyl 2-[methoxy(methyl)carbamoyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 2-[methoxy(methyl)carbamoyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 2-[methoxy(methyl)carbamoyl]morpholine-4-carboxylate is CON(C)C(=O)C1CN(C(=O)OC(C)(C)C)CCO1.
What is the InChIKey of tert-butyl 2-[methoxy(methyl)carbamoyl]morpholine-4-carboxylate?
The InChIKey is KLTDXKJVANISAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5/c1-12(2,3)19-11(16)14-6-7-18-9(8-14)10(15)13(4)17-5/h9H,6-8H2,1-5H3.
What are the key properties of tert-butyl 2-[methoxy(methyl)carbamoyl]morpholine-4-carboxylate?
tert-butyl 2-[methoxy(methyl)carbamoyl]morpholine-4-carboxylate has a molecular weight of 274.32 g/mol, XLogP of 0.64, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[methoxy(methyl)carbamoyl]morpholine-4-carboxylate is sourced from PubChem (CID 57449675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).