ethyl 2-[(2-ethoxy-2-oxoethyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate

C12H20N2O6 — CID 91722899

IUPACethyl 2-[(2-ethoxy-2-oxoethyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate
SMILESCCOC(=O)CNC(=O)C1CC(O)CN1C(=O)OCC
InChIInChI=1S/C12H20N2O6/c1-3-19-10(16)6-13-11(17)9-5-8(15)7-14(9)12(18)20-4-2/h8-9,15H,3-7H2,1-2H3,(H,13,17)
InChIKeyGAUJMVBXINFMGH-UHFFFAOYSA-N
MW288.30 g/mol
LogP-0.74
Rot. Bonds5

About ethyl 2-[(2-ethoxy-2-oxoethyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate

ethyl 2-[(2-ethoxy-2-oxoethyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate (PubChem CID 91722899) has the molecular formula C12H20N2O6 and a molecular weight of 288.30 g/mol. Its IUPAC name is ethyl 2-[(2-ethoxy-2-oxoethyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(2-ethoxy-2-oxoethyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate
PubChem CID91722899
Molecular FormulaC12H20N2O6
Molecular Weight288.30 g/mol
Exact Mass288.13
IUPAC Nameethyl 2-[(2-ethoxy-2-oxoethyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate
SMILESCCOC(=O)CNC(=O)C1CC(O)CN1C(=O)OCC
InChIInChI=1S/C12H20N2O6/c1-3-19-10(16)6-13-11(17)9-5-8(15)7-14(9)12(18)20-4-2/h8-9,15H,3-7H2,1-2H3,(H,13,17)
InChIKeyGAUJMVBXINFMGH-UHFFFAOYSA-N
XLogP-0.74
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[(2-ethoxy-2-oxoethyl)carbamoyl]-4-hydroxypyrrolidine-1-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 ethyl 2-[(2-ethoxy-2-oxoethyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate?
The IUPAC name of ethyl 2-[(2-ethoxy-2-oxoethyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate (CID 91722899) is ethyl 2-[(2-ethoxy-2-oxoethyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate.
What is the SMILES notation for ethyl 2-[(2-ethoxy-2-oxoethyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate?
The canonical SMILES for ethyl 2-[(2-ethoxy-2-oxoethyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate is CCOC(=O)CNC(=O)C1CC(O)CN1C(=O)OCC.
What is the InChIKey of ethyl 2-[(2-ethoxy-2-oxoethyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate?
The InChIKey is GAUJMVBXINFMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O6/c1-3-19-10(16)6-13-11(17)9-5-8(15)7-14(9)12(18)20-4-2/h8-9,15H,3-7H2,1-2H3,(H,13,17).
What are the key properties of ethyl 2-[(2-ethoxy-2-oxoethyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate?
ethyl 2-[(2-ethoxy-2-oxoethyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate has a molecular weight of 288.30 g/mol, XLogP of -0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-ethoxy-2-oxoethyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate is sourced from PubChem (CID 91722899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).