5,6,6-trimethyl-N-(2-methylpropyl)-3-oxo-1,2,4,7-tetrazabicyclo[3.2.0]heptane-2-carboxamide

C11H21N5O2 — CID 54303345

IUPAC5,6,6-trimethyl-N-(2-methylpropyl)-3-oxo-1,2,4,7-tetrazabicyclo[3.2.0]heptane-2-carboxamide
SMILESCC(C)CNC(=O)N1C(=O)NC2(C)N1NC2(C)C
InChIInChI=1S/C11H21N5O2/c1-7(2)6-12-8(17)15-9(18)13-11(5)10(3,4)14-16(11)15/h7,14H,6H2,1-5H3,(H,12,17)(H,13,18)
InChIKeySFTZGENAMQLPGQ-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.61
Rot. Bonds2

About 5,6,6-trimethyl-N-(2-methylpropyl)-3-oxo-1,2,4,7-tetrazabicyclo[3.2.0]heptane-2-carboxamide

5,6,6-trimethyl-N-(2-methylpropyl)-3-oxo-1,2,4,7-tetrazabicyclo[3.2.0]heptane-2-carboxamide (PubChem CID 54303345) has the molecular formula C11H21N5O2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 5,6,6-trimethyl-N-(2-methylpropyl)-3-oxo-1,2,4,7-tetrazabicyclo[3.2.0]heptane-2-carboxamide.

Molecular Properties

Compound Name5,6,6-trimethyl-N-(2-methylpropyl)-3-oxo-1,2,4,7-tetrazabicyclo[3.2.0]heptane-2-carboxamide
PubChem CID54303345
Molecular FormulaC11H21N5O2
Molecular Weight255.32 g/mol
Exact Mass255.17
IUPAC Name5,6,6-trimethyl-N-(2-methylpropyl)-3-oxo-1,2,4,7-tetrazabicyclo[3.2.0]heptane-2-carboxamide
SMILESCC(C)CNC(=O)N1C(=O)NC2(C)N1NC2(C)C
InChIInChI=1S/C11H21N5O2/c1-7(2)6-12-8(17)15-9(18)13-11(5)10(3,4)14-16(11)15/h7,14H,6H2,1-5H3,(H,12,17)(H,13,18)
InChIKeySFTZGENAMQLPGQ-UHFFFAOYSA-N
XLogP0.61
TPSA76.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6,6-trimethyl-N-(2-methylpropyl)-3-oxo-1,2,4,7-tetrazabicyclo[3.2.0]heptane-2-carboxamide?
The IUPAC name of 5,6,6-trimethyl-N-(2-methylpropyl)-3-oxo-1,2,4,7-tetrazabicyclo[3.2.0]heptane-2-carboxamide (CID 54303345) is 5,6,6-trimethyl-N-(2-methylpropyl)-3-oxo-1,2,4,7-tetrazabicyclo[3.2.0]heptane-2-carboxamide.
What is the SMILES notation for 5,6,6-trimethyl-N-(2-methylpropyl)-3-oxo-1,2,4,7-tetrazabicyclo[3.2.0]heptane-2-carboxamide?
The canonical SMILES for 5,6,6-trimethyl-N-(2-methylpropyl)-3-oxo-1,2,4,7-tetrazabicyclo[3.2.0]heptane-2-carboxamide is CC(C)CNC(=O)N1C(=O)NC2(C)N1NC2(C)C.
What is the InChIKey of 5,6,6-trimethyl-N-(2-methylpropyl)-3-oxo-1,2,4,7-tetrazabicyclo[3.2.0]heptane-2-carboxamide?
The InChIKey is SFTZGENAMQLPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2/c1-7(2)6-12-8(17)15-9(18)13-11(5)10(3,4)14-16(11)15/h7,14H,6H2,1-5H3,(H,12,17)(H,13,18).
What are the key properties of 5,6,6-trimethyl-N-(2-methylpropyl)-3-oxo-1,2,4,7-tetrazabicyclo[3.2.0]heptane-2-carboxamide?
5,6,6-trimethyl-N-(2-methylpropyl)-3-oxo-1,2,4,7-tetrazabicyclo[3.2.0]heptane-2-carboxamide has a molecular weight of 255.32 g/mol, XLogP of 0.61, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,6-trimethyl-N-(2-methylpropyl)-3-oxo-1,2,4,7-tetrazabicyclo[3.2.0]heptane-2-carboxamide is sourced from PubChem (CID 54303345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).