ethyl 4-[amino(oxamoyl)amino]-2,2,6,6-tetramethylpiperidine-1-carboxylate

C14H26N4O4 — CID 19760731

IUPACethyl 4-[amino(oxamoyl)amino]-2,2,6,6-tetramethylpiperidine-1-carboxylate
SMILESCCOC(=O)N1C(C)(C)CC(N(N)C(=O)C(N)=O)CC1(C)C
InChIInChI=1S/C14H26N4O4/c1-6-22-12(21)18-13(2,3)7-9(8-14(18,4)5)17(16)11(20)10(15)19/h9H,6-8,16H2,1-5H3,(H2,15,19)
InChIKeyGOSGGOPBHADVTO-UHFFFAOYSA-N
MW314.39 g/mol
LogP0.35
Rot. Bonds2

About ethyl 4-[amino(oxamoyl)amino]-2,2,6,6-tetramethylpiperidine-1-carboxylate

ethyl 4-[amino(oxamoyl)amino]-2,2,6,6-tetramethylpiperidine-1-carboxylate (PubChem CID 19760731) has the molecular formula C14H26N4O4 and a molecular weight of 314.39 g/mol. Its IUPAC name is ethyl 4-[amino(oxamoyl)amino]-2,2,6,6-tetramethylpiperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[amino(oxamoyl)amino]-2,2,6,6-tetramethylpiperidine-1-carboxylate
PubChem CID19760731
Molecular FormulaC14H26N4O4
Molecular Weight314.39 g/mol
Exact Mass314.20
IUPAC Nameethyl 4-[amino(oxamoyl)amino]-2,2,6,6-tetramethylpiperidine-1-carboxylate
SMILESCCOC(=O)N1C(C)(C)CC(N(N)C(=O)C(N)=O)CC1(C)C
InChIInChI=1S/C14H26N4O4/c1-6-22-12(21)18-13(2,3)7-9(8-14(18,4)5)17(16)11(20)10(15)19/h9H,6-8,16H2,1-5H3,(H2,15,19)
InChIKeyGOSGGOPBHADVTO-UHFFFAOYSA-N
XLogP0.35
TPSA118.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[amino(oxamoyl)amino]-2,2,6,6-tetramethylpiperidine-1-carboxylate?
The IUPAC name of ethyl 4-[amino(oxamoyl)amino]-2,2,6,6-tetramethylpiperidine-1-carboxylate (CID 19760731) is ethyl 4-[amino(oxamoyl)amino]-2,2,6,6-tetramethylpiperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[amino(oxamoyl)amino]-2,2,6,6-tetramethylpiperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[amino(oxamoyl)amino]-2,2,6,6-tetramethylpiperidine-1-carboxylate is CCOC(=O)N1C(C)(C)CC(N(N)C(=O)C(N)=O)CC1(C)C.
What is the InChIKey of ethyl 4-[amino(oxamoyl)amino]-2,2,6,6-tetramethylpiperidine-1-carboxylate?
The InChIKey is GOSGGOPBHADVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O4/c1-6-22-12(21)18-13(2,3)7-9(8-14(18,4)5)17(16)11(20)10(15)19/h9H,6-8,16H2,1-5H3,(H2,15,19).
What are the key properties of ethyl 4-[amino(oxamoyl)amino]-2,2,6,6-tetramethylpiperidine-1-carboxylate?
ethyl 4-[amino(oxamoyl)amino]-2,2,6,6-tetramethylpiperidine-1-carboxylate has a molecular weight of 314.39 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[amino(oxamoyl)amino]-2,2,6,6-tetramethylpiperidine-1-carboxylate is sourced from PubChem (CID 19760731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).