[2-(cyclohexylmethylamino)-2-oxoethyl] 3-(2,5-dioxopyrrolidin-1-yl)propanoate

C16H24N2O5 — CID 55427385

IUPAC[2-(cyclohexylmethylamino)-2-oxoethyl] 3-(2,5-dioxopyrrolidin-1-yl)propanoate
SMILESO=C(COC(=O)CCN1C(=O)CCC1=O)NCC1CCCCC1
InChIInChI=1S/C16H24N2O5/c19-13(17-10-12-4-2-1-3-5-12)11-23-16(22)8-9-18-14(20)6-7-15(18)21/h12H,1-11H2,(H,17,19)
InChIKeyWPPBCMAAPXOKAE-UHFFFAOYSA-N
MW324.38 g/mol
LogP0.77
Rot. Bonds7

About [2-(cyclohexylmethylamino)-2-oxoethyl] 3-(2,5-dioxopyrrolidin-1-yl)propanoate

[2-(cyclohexylmethylamino)-2-oxoethyl] 3-(2,5-dioxopyrrolidin-1-yl)propanoate (PubChem CID 55427385) has the molecular formula C16H24N2O5 and a molecular weight of 324.38 g/mol. Its IUPAC name is [2-(cyclohexylmethylamino)-2-oxoethyl] 3-(2,5-dioxopyrrolidin-1-yl)propanoate.

Molecular Properties

Compound Name[2-(cyclohexylmethylamino)-2-oxoethyl] 3-(2,5-dioxopyrrolidin-1-yl)propanoate
PubChem CID55427385
Molecular FormulaC16H24N2O5
Molecular Weight324.38 g/mol
Exact Mass324.17
IUPAC Name[2-(cyclohexylmethylamino)-2-oxoethyl] 3-(2,5-dioxopyrrolidin-1-yl)propanoate
SMILESO=C(COC(=O)CCN1C(=O)CCC1=O)NCC1CCCCC1
InChIInChI=1S/C16H24N2O5/c19-13(17-10-12-4-2-1-3-5-12)11-23-16(22)8-9-18-14(20)6-7-15(18)21/h12H,1-11H2,(H,17,19)
InChIKeyWPPBCMAAPXOKAE-UHFFFAOYSA-N
XLogP0.77
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylmethylamino)-2-oxoethyl] 3-(2,5-dioxopyrrolidin-1-yl)propanoate?
The IUPAC name of [2-(cyclohexylmethylamino)-2-oxoethyl] 3-(2,5-dioxopyrrolidin-1-yl)propanoate (CID 55427385) is [2-(cyclohexylmethylamino)-2-oxoethyl] 3-(2,5-dioxopyrrolidin-1-yl)propanoate.
What is the SMILES notation for [2-(cyclohexylmethylamino)-2-oxoethyl] 3-(2,5-dioxopyrrolidin-1-yl)propanoate?
The canonical SMILES for [2-(cyclohexylmethylamino)-2-oxoethyl] 3-(2,5-dioxopyrrolidin-1-yl)propanoate is O=C(COC(=O)CCN1C(=O)CCC1=O)NCC1CCCCC1.
What is the InChIKey of [2-(cyclohexylmethylamino)-2-oxoethyl] 3-(2,5-dioxopyrrolidin-1-yl)propanoate?
The InChIKey is WPPBCMAAPXOKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5/c19-13(17-10-12-4-2-1-3-5-12)11-23-16(22)8-9-18-14(20)6-7-15(18)21/h12H,1-11H2,(H,17,19).
What are the key properties of [2-(cyclohexylmethylamino)-2-oxoethyl] 3-(2,5-dioxopyrrolidin-1-yl)propanoate?
[2-(cyclohexylmethylamino)-2-oxoethyl] 3-(2,5-dioxopyrrolidin-1-yl)propanoate has a molecular weight of 324.38 g/mol, XLogP of 0.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylmethylamino)-2-oxoethyl] 3-(2,5-dioxopyrrolidin-1-yl)propanoate is sourced from PubChem (CID 55427385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).