[1-(2-methoxyethylamino)-1-oxopropan-2-yl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate

C14H18N2O5 — CID 652070

IUPAC[1-(2-methoxyethylamino)-1-oxopropan-2-yl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate
SMILESCOCCNC(=O)C(C)OC(=O)c1cc2occc2n1C
InChIInChI=1S/C14H18N2O5/c1-9(13(17)15-5-7-19-3)21-14(18)11-8-12-10(16(11)2)4-6-20-12/h4,6,8-9H,5,7H2,1-3H3,(H,15,17)
InChIKeyBJFMNLUGXUJOOW-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.08
Rot. Bonds6

About [1-(2-methoxyethylamino)-1-oxopropan-2-yl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate

[1-(2-methoxyethylamino)-1-oxopropan-2-yl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate (PubChem CID 652070) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is [1-(2-methoxyethylamino)-1-oxopropan-2-yl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Name[1-(2-methoxyethylamino)-1-oxopropan-2-yl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate
PubChem CID652070
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name[1-(2-methoxyethylamino)-1-oxopropan-2-yl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate
SMILESCOCCNC(=O)C(C)OC(=O)c1cc2occc2n1C
InChIInChI=1S/C14H18N2O5/c1-9(13(17)15-5-7-19-3)21-14(18)11-8-12-10(16(11)2)4-6-20-12/h4,6,8-9H,5,7H2,1-3H3,(H,15,17)
InChIKeyBJFMNLUGXUJOOW-UHFFFAOYSA-N
XLogP1.08
TPSA82.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [1-(2-methoxyethylamino)-1-oxopropan-2-yl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxyethylamino)-1-oxopropan-2-yl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of [1-(2-methoxyethylamino)-1-oxopropan-2-yl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate (CID 652070) is [1-(2-methoxyethylamino)-1-oxopropan-2-yl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for [1-(2-methoxyethylamino)-1-oxopropan-2-yl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for [1-(2-methoxyethylamino)-1-oxopropan-2-yl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate is COCCNC(=O)C(C)OC(=O)c1cc2occc2n1C.
What is the InChIKey of [1-(2-methoxyethylamino)-1-oxopropan-2-yl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate?
The InChIKey is BJFMNLUGXUJOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-9(13(17)15-5-7-19-3)21-14(18)11-8-12-10(16(11)2)4-6-20-12/h4,6,8-9H,5,7H2,1-3H3,(H,15,17).
What are the key properties of [1-(2-methoxyethylamino)-1-oxopropan-2-yl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate?
[1-(2-methoxyethylamino)-1-oxopropan-2-yl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate has a molecular weight of 294.31 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxyethylamino)-1-oxopropan-2-yl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 652070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).