amino 5-(2,5-dioxopyrrol-1-yl)-2,2,4,4-tetramethylpentanoate

C13H20N2O4 — CID 139478134

IUPACamino 5-(2,5-dioxopyrrol-1-yl)-2,2,4,4-tetramethylpentanoate
SMILESCC(C)(CN1C(=O)C=CC1=O)CC(C)(C)C(=O)ON
InChIInChI=1S/C13H20N2O4/c1-12(2,7-13(3,4)11(18)19-14)8-15-9(16)5-6-10(15)17/h5-6H,7-8,14H2,1-4H3
InChIKeyHZMSDQOUMNVMSQ-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.77
Rot. Bonds5

About amino 5-(2,5-dioxopyrrol-1-yl)-2,2,4,4-tetramethylpentanoate

amino 5-(2,5-dioxopyrrol-1-yl)-2,2,4,4-tetramethylpentanoate (PubChem CID 139478134) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is amino 5-(2,5-dioxopyrrol-1-yl)-2,2,4,4-tetramethylpentanoate.

Molecular Properties

Compound Nameamino 5-(2,5-dioxopyrrol-1-yl)-2,2,4,4-tetramethylpentanoate
PubChem CID139478134
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Nameamino 5-(2,5-dioxopyrrol-1-yl)-2,2,4,4-tetramethylpentanoate
SMILESCC(C)(CN1C(=O)C=CC1=O)CC(C)(C)C(=O)ON
InChIInChI=1S/C13H20N2O4/c1-12(2,7-13(3,4)11(18)19-14)8-15-9(16)5-6-10(15)17/h5-6H,7-8,14H2,1-4H3
InChIKeyHZMSDQOUMNVMSQ-UHFFFAOYSA-N
XLogP0.77
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of amino 5-(2,5-dioxopyrrol-1-yl)-2,2,4,4-tetramethylpentanoate?
The IUPAC name of amino 5-(2,5-dioxopyrrol-1-yl)-2,2,4,4-tetramethylpentanoate (CID 139478134) is amino 5-(2,5-dioxopyrrol-1-yl)-2,2,4,4-tetramethylpentanoate.
What is the SMILES notation for amino 5-(2,5-dioxopyrrol-1-yl)-2,2,4,4-tetramethylpentanoate?
The canonical SMILES for amino 5-(2,5-dioxopyrrol-1-yl)-2,2,4,4-tetramethylpentanoate is CC(C)(CN1C(=O)C=CC1=O)CC(C)(C)C(=O)ON.
What is the InChIKey of amino 5-(2,5-dioxopyrrol-1-yl)-2,2,4,4-tetramethylpentanoate?
The InChIKey is HZMSDQOUMNVMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-12(2,7-13(3,4)11(18)19-14)8-15-9(16)5-6-10(15)17/h5-6H,7-8,14H2,1-4H3.
What are the key properties of amino 5-(2,5-dioxopyrrol-1-yl)-2,2,4,4-tetramethylpentanoate?
amino 5-(2,5-dioxopyrrol-1-yl)-2,2,4,4-tetramethylpentanoate has a molecular weight of 268.31 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for amino 5-(2,5-dioxopyrrol-1-yl)-2,2,4,4-tetramethylpentanoate is sourced from PubChem (CID 139478134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).