ethane;ethyl 1-acetyl-2-formyl-5-hydroxypyrrolidine-2-carboxylate;methoxyethane;propane

C20H43NO6 — CID 142085479

IUPACethane;ethyl 1-acetyl-2-formyl-5-hydroxypyrrolidine-2-carboxylate;methoxyethane;propane
SMILESCC.CC.CCC.CCOC.CCOC(=O)C1(C=O)CCC(O)N1C(C)=O
InChIInChI=1S/C10H15NO5.C3H8O.C3H8.2C2H6/c1-3-16-9(15)10(6-12)5-4-8(14)11(10)7(2)13;1-3-4-2;1-3-2;2*1-2/h6,8,14H,3-5H2,1-2H3;3H2,1-2H3;3H2,1-2H3;2*1-2H3
InChIKeyIGMSQIDNHCMCTN-UHFFFAOYSA-N
MW393.57 g/mol
LogP3.57
Rot. Bonds4

About ethane;ethyl 1-acetyl-2-formyl-5-hydroxypyrrolidine-2-carboxylate;methoxyethane;propane

ethane;ethyl 1-acetyl-2-formyl-5-hydroxypyrrolidine-2-carboxylate;methoxyethane;propane (PubChem CID 142085479) has the molecular formula C20H43NO6 and a molecular weight of 393.57 g/mol. Its IUPAC name is ethane;ethyl 1-acetyl-2-formyl-5-hydroxypyrrolidine-2-carboxylate;methoxyethane;propane.

Molecular Properties

Compound Nameethane;ethyl 1-acetyl-2-formyl-5-hydroxypyrrolidine-2-carboxylate;methoxyethane;propane
PubChem CID142085479
Molecular FormulaC20H43NO6
Molecular Weight393.57 g/mol
Exact Mass393.31
IUPAC Nameethane;ethyl 1-acetyl-2-formyl-5-hydroxypyrrolidine-2-carboxylate;methoxyethane;propane
SMILESCC.CC.CCC.CCOC.CCOC(=O)C1(C=O)CCC(O)N1C(C)=O
InChIInChI=1S/C10H15NO5.C3H8O.C3H8.2C2H6/c1-3-16-9(15)10(6-12)5-4-8(14)11(10)7(2)13;1-3-4-2;1-3-2;2*1-2/h6,8,14H,3-5H2,1-2H3;3H2,1-2H3;3H2,1-2H3;2*1-2H3
InChIKeyIGMSQIDNHCMCTN-UHFFFAOYSA-N
XLogP3.57
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.57
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze ethane;ethyl 1-acetyl-2-formyl-5-hydroxypyrrolidine-2-carboxylate;methoxyethane;propane 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 ethane;ethyl 1-acetyl-2-formyl-5-hydroxypyrrolidine-2-carboxylate;methoxyethane;propane?
The IUPAC name of ethane;ethyl 1-acetyl-2-formyl-5-hydroxypyrrolidine-2-carboxylate;methoxyethane;propane (CID 142085479) is ethane;ethyl 1-acetyl-2-formyl-5-hydroxypyrrolidine-2-carboxylate;methoxyethane;propane.
What is the SMILES notation for ethane;ethyl 1-acetyl-2-formyl-5-hydroxypyrrolidine-2-carboxylate;methoxyethane;propane?
The canonical SMILES for ethane;ethyl 1-acetyl-2-formyl-5-hydroxypyrrolidine-2-carboxylate;methoxyethane;propane is CC.CC.CCC.CCOC.CCOC(=O)C1(C=O)CCC(O)N1C(C)=O.
What is the InChIKey of ethane;ethyl 1-acetyl-2-formyl-5-hydroxypyrrolidine-2-carboxylate;methoxyethane;propane?
The InChIKey is IGMSQIDNHCMCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5.C3H8O.C3H8.2C2H6/c1-3-16-9(15)10(6-12)5-4-8(14)11(10)7(2)13;1-3-4-2;1-3-2;2*1-2/h6,8,14H,3-5H2,1-2H3;3H2,1-2H3;3H2,1-2H3;2*1-2H3.
What are the key properties of ethane;ethyl 1-acetyl-2-formyl-5-hydroxypyrrolidine-2-carboxylate;methoxyethane;propane?
ethane;ethyl 1-acetyl-2-formyl-5-hydroxypyrrolidine-2-carboxylate;methoxyethane;propane has a molecular weight of 393.57 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 1-acetyl-2-formyl-5-hydroxypyrrolidine-2-carboxylate;methoxyethane;propane is sourced from PubChem (CID 142085479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).