oxalic acid;1-[2-[2-(2-oxo-3-propan-2-ylimidazolidin-1-yl)ethylamino]acetyl]pyrrolidine-2-carbonitrile

C17H27N5O6 — CID 56670496

About oxalic acid;1-[2-[2-(2-oxo-3-propan-2-ylimidazolidin-1-yl)ethylamino]acetyl]pyrrolidine-2-carbonitrile

oxalic acid;1-[2-[2-(2-oxo-3-propan-2-ylimidazolidin-1-yl)ethylamino]acetyl]pyrrolidine-2-carbonitrile (PubChem CID 56670496) has the molecular formula C17H27N5O6 and a molecular weight of 397.43 g/mol. Its IUPAC name is oxalic acid;1-[2-[2-(2-oxo-3-propan-2-ylimidazolidin-1-yl)ethylamino]acetyl]pyrrolidine-2-carbonitrile.

Molecular Properties

• Compound Name: oxalic acid;1-[2-[2-(2-oxo-3-propan-2-ylimidazolidin-1-yl)ethylamino]acetyl]pyrrolidine-2-carbonitrile
• PubChem CID: 56670496
• Molecular Formula: C17H27N5O6
• Molecular Weight: 397.43 g/mol
• Exact Mass: 397.20
• IUPAC Name: oxalic acid;1-[2-[2-(2-oxo-3-propan-2-ylimidazolidin-1-yl)ethylamino]acetyl]pyrrolidine-2-carbonitrile
• SMILES: CC(C)N1CCN(CCNCC(=O)N2CCCC2C#N)C1=O.O=C(O)C(=O)O
• InChI: InChI=1S/C15H25N5O2.C2H2O4/c1-12(2)19-9-8-18(15(19)22)7-5-17-11-14(21)20-6-3-4-13(20)10-16;3-1(4)2(5)6/h12-13,17H,3-9,11H2,1-2H3;(H,3,4)(H,5,6)
• InChIKey: AYSPMOBCBMUPPY-UHFFFAOYSA-N
• XLogP: -0.61
• TPSA: 154.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.43
LogP ≤ 5	-0.61
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of oxalic acid;1-[2-[2-(2-oxo-3-propan-2-ylimidazolidin-1-yl)ethylamino]acetyl]pyrrolidine-2-carbonitrile?

The IUPAC name of oxalic acid;1-[2-[2-(2-oxo-3-propan-2-ylimidazolidin-1-yl)ethylamino]acetyl]pyrrolidine-2-carbonitrile (CID 56670496) is oxalic acid;1-[2-[2-(2-oxo-3-propan-2-ylimidazolidin-1-yl)ethylamino]acetyl]pyrrolidine-2-carbonitrile.

What is the SMILES notation for oxalic acid;1-[2-[2-(2-oxo-3-propan-2-ylimidazolidin-1-yl)ethylamino]acetyl]pyrrolidine-2-carbonitrile?

The canonical SMILES for oxalic acid;1-[2-[2-(2-oxo-3-propan-2-ylimidazolidin-1-yl)ethylamino]acetyl]pyrrolidine-2-carbonitrile is CC(C)N1CCN(CCNCC(=O)N2CCCC2C#N)C1=O.O=C(O)C(=O)O.

What is the InChIKey of oxalic acid;1-[2-[2-(2-oxo-3-propan-2-ylimidazolidin-1-yl)ethylamino]acetyl]pyrrolidine-2-carbonitrile?

The InChIKey is AYSPMOBCBMUPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2.C2H2O4/c1-12(2)19-9-8-18(15(19)22)7-5-17-11-14(21)20-6-3-4-13(20)10-16;3-1(4)2(5)6/h12-13,17H,3-9,11H2,1-2H3;(H,3,4)(H,5,6).

What are the key properties of oxalic acid;1-[2-[2-(2-oxo-3-propan-2-ylimidazolidin-1-yl)ethylamino]acetyl]pyrrolidine-2-carbonitrile?

oxalic acid;1-[2-[2-(2-oxo-3-propan-2-ylimidazolidin-1-yl)ethylamino]acetyl]pyrrolidine-2-carbonitrile has a molecular weight of 397.43 g/mol, XLogP of -0.61, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for oxalic acid;1-[2-[2-(2-oxo-3-propan-2-ylimidazolidin-1-yl)ethylamino]acetyl]pyrrolidine-2-carbonitrile is sourced from PubChem (CID 56670496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).