(4-ethoxy-2-imino-4-oxobutyl) morpholine-4-carboxylate

C11H18N2O5 — CID 54340158

IUPAC(4-ethoxy-2-imino-4-oxobutyl) morpholine-4-carboxylate
SMILES[H]/N=C(/COC(=O)N1CCOCC1)CC(=O)OCC
InChIInChI=1S/C11H18N2O5/c1-2-17-10(14)7-9(12)8-18-11(15)13-3-5-16-6-4-13/h12H,2-8H2,1H3/b12-9+
InChIKeyTYJCYVWTPUJEQL-FMIVXFBMSA-N
MW258.27 g/mol
LogP0.43
Rot. Bonds5

About (4-ethoxy-2-imino-4-oxobutyl) morpholine-4-carboxylate

(4-ethoxy-2-imino-4-oxobutyl) morpholine-4-carboxylate (PubChem CID 54340158) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is (4-ethoxy-2-imino-4-oxobutyl) morpholine-4-carboxylate.

Molecular Properties

Compound Name(4-ethoxy-2-imino-4-oxobutyl) morpholine-4-carboxylate
PubChem CID54340158
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name(4-ethoxy-2-imino-4-oxobutyl) morpholine-4-carboxylate
SMILES[H]/N=C(/COC(=O)N1CCOCC1)CC(=O)OCC
InChIInChI=1S/C11H18N2O5/c1-2-17-10(14)7-9(12)8-18-11(15)13-3-5-16-6-4-13/h12H,2-8H2,1H3/b12-9+
InChIKeyTYJCYVWTPUJEQL-FMIVXFBMSA-N
XLogP0.43
TPSA88.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(4-Ethoxy-2-imino-4-oxobutyl) 4-methylpiperazine-1-carboxylate
CID 53744568
(4-Ethoxy-2-imino-4-oxobutyl) piperidine-1-carboxylate
CID 53857050
2-Propoxyethyl 4-(diethylcarbamoyloxy)-3-iminobutanoate
CID 54029858
2-Morpholin-4-ylethyl 3-iminobutanoate
CID 54312369

Frequently Asked Questions

What is the IUPAC name of (4-ethoxy-2-imino-4-oxobutyl) morpholine-4-carboxylate?
The IUPAC name of (4-ethoxy-2-imino-4-oxobutyl) morpholine-4-carboxylate (CID 54340158) is (4-ethoxy-2-imino-4-oxobutyl) morpholine-4-carboxylate.
What is the SMILES notation for (4-ethoxy-2-imino-4-oxobutyl) morpholine-4-carboxylate?
The canonical SMILES for (4-ethoxy-2-imino-4-oxobutyl) morpholine-4-carboxylate is [H]/N=C(/COC(=O)N1CCOCC1)CC(=O)OCC.
What is the InChIKey of (4-ethoxy-2-imino-4-oxobutyl) morpholine-4-carboxylate?
The InChIKey is TYJCYVWTPUJEQL-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H18N2O5/c1-2-17-10(14)7-9(12)8-18-11(15)13-3-5-16-6-4-13/h12H,2-8H2,1H3/b12-9+.
What are the key properties of (4-ethoxy-2-imino-4-oxobutyl) morpholine-4-carboxylate?
(4-ethoxy-2-imino-4-oxobutyl) morpholine-4-carboxylate has a molecular weight of 258.27 g/mol, XLogP of 0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxy-2-imino-4-oxobutyl) morpholine-4-carboxylate is sourced from PubChem (CID 54340158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).