[3-[methoxy(methyl)amino]-3-oxopropyl] morpholine-4-carboxylate

C10H18N2O5 — CID 175757660

IUPAC[3-[methoxy(methyl)amino]-3-oxopropyl] morpholine-4-carboxylate
SMILESCON(C)C(=O)CCOC(=O)N1CCOCC1
InChIInChI=1S/C10H18N2O5/c1-11(15-2)9(13)3-6-17-10(14)12-4-7-16-8-5-12/h3-8H2,1-2H3
InChIKeyOOFKUPDXODGCDD-UHFFFAOYSA-N
MW246.26 g/mol
LogP-0.13
Rot. Bonds4

About [3-[methoxy(methyl)amino]-3-oxopropyl] morpholine-4-carboxylate

[3-[methoxy(methyl)amino]-3-oxopropyl] morpholine-4-carboxylate (PubChem CID 175757660) has the molecular formula C10H18N2O5 and a molecular weight of 246.26 g/mol. Its IUPAC name is [3-[methoxy(methyl)amino]-3-oxopropyl] morpholine-4-carboxylate.

Molecular Properties

Compound Name[3-[methoxy(methyl)amino]-3-oxopropyl] morpholine-4-carboxylate
PubChem CID175757660
Molecular FormulaC10H18N2O5
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Name[3-[methoxy(methyl)amino]-3-oxopropyl] morpholine-4-carboxylate
SMILESCON(C)C(=O)CCOC(=O)N1CCOCC1
InChIInChI=1S/C10H18N2O5/c1-11(15-2)9(13)3-6-17-10(14)12-4-7-16-8-5-12/h3-8H2,1-2H3
InChIKeyOOFKUPDXODGCDD-UHFFFAOYSA-N
XLogP-0.13
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 5-0.13
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 [3-[methoxy(methyl)amino]-3-oxopropyl] morpholine-4-carboxylate?
The IUPAC name of [3-[methoxy(methyl)amino]-3-oxopropyl] morpholine-4-carboxylate (CID 175757660) is [3-[methoxy(methyl)amino]-3-oxopropyl] morpholine-4-carboxylate.
What is the SMILES notation for [3-[methoxy(methyl)amino]-3-oxopropyl] morpholine-4-carboxylate?
The canonical SMILES for [3-[methoxy(methyl)amino]-3-oxopropyl] morpholine-4-carboxylate is CON(C)C(=O)CCOC(=O)N1CCOCC1.
What is the InChIKey of [3-[methoxy(methyl)amino]-3-oxopropyl] morpholine-4-carboxylate?
The InChIKey is OOFKUPDXODGCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O5/c1-11(15-2)9(13)3-6-17-10(14)12-4-7-16-8-5-12/h3-8H2,1-2H3.
What are the key properties of [3-[methoxy(methyl)amino]-3-oxopropyl] morpholine-4-carboxylate?
[3-[methoxy(methyl)amino]-3-oxopropyl] morpholine-4-carboxylate has a molecular weight of 246.26 g/mol, XLogP of -0.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[methoxy(methyl)amino]-3-oxopropyl] morpholine-4-carboxylate is sourced from PubChem (CID 175757660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).