4-O-[2-(2-methoxyethylamino)-2-oxoethyl] 1-O-methyl but-2-enedioate

C10H15NO6 — CID 72529783

IUPAC4-O-[2-(2-methoxyethylamino)-2-oxoethyl] 1-O-methyl but-2-enedioate
SMILESCOCCNC(=O)COC(=O)C=CC(=O)OC
InChIInChI=1S/C10H15NO6/c1-15-6-5-11-8(12)7-17-10(14)4-3-9(13)16-2/h3-4H,5-7H2,1-2H3,(H,11,12)
InChIKeyDBALCVVDGWTCCO-UHFFFAOYSA-N
MW245.23 g/mol
LogP-0.98
Rot. Bonds7

About 4-O-[2-(2-methoxyethylamino)-2-oxoethyl] 1-O-methyl but-2-enedioate

4-O-[2-(2-methoxyethylamino)-2-oxoethyl] 1-O-methyl but-2-enedioate (PubChem CID 72529783) has the molecular formula C10H15NO6 and a molecular weight of 245.23 g/mol. Its IUPAC name is 4-O-[2-(2-methoxyethylamino)-2-oxoethyl] 1-O-methyl but-2-enedioate.

Molecular Properties

Compound Name4-O-[2-(2-methoxyethylamino)-2-oxoethyl] 1-O-methyl but-2-enedioate
PubChem CID72529783
Molecular FormulaC10H15NO6
Molecular Weight245.23 g/mol
Exact Mass245.09
IUPAC Name4-O-[2-(2-methoxyethylamino)-2-oxoethyl] 1-O-methyl but-2-enedioate
SMILESCOCCNC(=O)COC(=O)C=CC(=O)OC
InChIInChI=1S/C10H15NO6/c1-15-6-5-11-8(12)7-17-10(14)4-3-9(13)16-2/h3-4H,5-7H2,1-2H3,(H,11,12)
InChIKeyDBALCVVDGWTCCO-UHFFFAOYSA-N
XLogP-0.98
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 5-0.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-O-[2-(2-methoxyethylamino)-2-oxoethyl] 1-O-methyl but-2-enedioate?
The IUPAC name of 4-O-[2-(2-methoxyethylamino)-2-oxoethyl] 1-O-methyl but-2-enedioate (CID 72529783) is 4-O-[2-(2-methoxyethylamino)-2-oxoethyl] 1-O-methyl but-2-enedioate.
What is the SMILES notation for 4-O-[2-(2-methoxyethylamino)-2-oxoethyl] 1-O-methyl but-2-enedioate?
The canonical SMILES for 4-O-[2-(2-methoxyethylamino)-2-oxoethyl] 1-O-methyl but-2-enedioate is COCCNC(=O)COC(=O)C=CC(=O)OC.
What is the InChIKey of 4-O-[2-(2-methoxyethylamino)-2-oxoethyl] 1-O-methyl but-2-enedioate?
The InChIKey is DBALCVVDGWTCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO6/c1-15-6-5-11-8(12)7-17-10(14)4-3-9(13)16-2/h3-4H,5-7H2,1-2H3,(H,11,12).
What are the key properties of 4-O-[2-(2-methoxyethylamino)-2-oxoethyl] 1-O-methyl but-2-enedioate?
4-O-[2-(2-methoxyethylamino)-2-oxoethyl] 1-O-methyl but-2-enedioate has a molecular weight of 245.23 g/mol, XLogP of -0.98, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-[2-(2-methoxyethylamino)-2-oxoethyl] 1-O-methyl but-2-enedioate is sourced from PubChem (CID 72529783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).