[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(cyclohexanecarbonylamino)acetate

C14H21N3O5 — CID 42987354

IUPAC[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(cyclohexanecarbonylamino)acetate
SMILESO=C(CNC(=O)C1CCCCC1)OCC(=O)N1CCNC1=O
InChIInChI=1S/C14H21N3O5/c18-11(17-7-6-15-14(17)21)9-22-12(19)8-16-13(20)10-4-2-1-3-5-10/h10H,1-9H2,(H,15,21)(H,16,20)
InChIKeyVPVJYYFMDAWFNK-UHFFFAOYSA-N
MW311.34 g/mol
LogP-0.22
Rot. Bonds5

About [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(cyclohexanecarbonylamino)acetate

[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(cyclohexanecarbonylamino)acetate (PubChem CID 42987354) has the molecular formula C14H21N3O5 and a molecular weight of 311.34 g/mol. Its IUPAC name is [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(cyclohexanecarbonylamino)acetate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(cyclohexanecarbonylamino)acetate
PubChem CID42987354
Molecular FormulaC14H21N3O5
Molecular Weight311.34 g/mol
Exact Mass311.15
IUPAC Name[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(cyclohexanecarbonylamino)acetate
SMILESO=C(CNC(=O)C1CCCCC1)OCC(=O)N1CCNC1=O
InChIInChI=1S/C14H21N3O5/c18-11(17-7-6-15-14(17)21)9-22-12(19)8-16-13(20)10-4-2-1-3-5-10/h10H,1-9H2,(H,15,21)(H,16,20)
InChIKeyVPVJYYFMDAWFNK-UHFFFAOYSA-N
XLogP-0.22
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(cyclohexanecarbonylamino)acetate?
The IUPAC name of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(cyclohexanecarbonylamino)acetate (CID 42987354) is [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(cyclohexanecarbonylamino)acetate.
What is the SMILES notation for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(cyclohexanecarbonylamino)acetate?
The canonical SMILES for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(cyclohexanecarbonylamino)acetate is O=C(CNC(=O)C1CCCCC1)OCC(=O)N1CCNC1=O.
What is the InChIKey of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(cyclohexanecarbonylamino)acetate?
The InChIKey is VPVJYYFMDAWFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O5/c18-11(17-7-6-15-14(17)21)9-22-12(19)8-16-13(20)10-4-2-1-3-5-10/h10H,1-9H2,(H,15,21)(H,16,20).
What are the key properties of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(cyclohexanecarbonylamino)acetate?
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(cyclohexanecarbonylamino)acetate has a molecular weight of 311.34 g/mol, XLogP of -0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(cyclohexanecarbonylamino)acetate is sourced from PubChem (CID 42987354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).