tert-butyl (5S)-5-tert-butyl-2,2-dideuterio-6-methyl-7-oxo-4,6-diazaspiro[2.4]heptane-4-carboxylate

C15H26N2O3 — CID 134845024

IUPACtert-butyl (5S)-5-tert-butyl-2,2-dideuterio-6-methyl-7-oxo-4,6-diazaspiro[2.4]heptane-4-carboxylate
SMILES[2H]C1([2H])CC12C(=O)N(C)[C@H](C(C)(C)C)N2C(=O)OC(C)(C)C
InChIInChI=1S/C15H26N2O3/c1-13(2,3)10-16(7)11(18)15(8-9-15)17(10)12(19)20-14(4,5)6/h10H,8-9H2,1-7H3/t10-/m0/s1/i8D2/t10-,15?
InChIKeySAHACFDBOWZSSO-PQVZAFPSSA-N
MW284.40 g/mol
LogP2.60
Rot. Bonds

About tert-butyl (5S)-5-tert-butyl-2,2-dideuterio-6-methyl-7-oxo-4,6-diazaspiro[2.4]heptane-4-carboxylate

tert-butyl (5S)-5-tert-butyl-2,2-dideuterio-6-methyl-7-oxo-4,6-diazaspiro[2.4]heptane-4-carboxylate (PubChem CID 134845024) has the molecular formula C15H26N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is tert-butyl (5S)-5-tert-butyl-2,2-dideuterio-6-methyl-7-oxo-4,6-diazaspiro[2.4]heptane-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (5S)-5-tert-butyl-2,2-dideuterio-6-methyl-7-oxo-4,6-diazaspiro[2.4]heptane-4-carboxylate
PubChem CID134845024
Molecular FormulaC15H26N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Nametert-butyl (5S)-5-tert-butyl-2,2-dideuterio-6-methyl-7-oxo-4,6-diazaspiro[2.4]heptane-4-carboxylate
SMILES[2H]C1([2H])CC12C(=O)N(C)[C@H](C(C)(C)C)N2C(=O)OC(C)(C)C
InChIInChI=1S/C15H26N2O3/c1-13(2,3)10-16(7)11(18)15(8-9-15)17(10)12(19)20-14(4,5)6/h10H,8-9H2,1-7H3/t10-/m0/s1/i8D2/t10-,15?
InChIKeySAHACFDBOWZSSO-PQVZAFPSSA-N
XLogP2.60
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl (5S)-5-tert-butyl-2,2-dideuterio-6-methyl-7-oxo-4,6-diazaspiro[2.4]heptane-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl (5S)-5-tert-butyl-2,2-dideuterio-6-methyl-7-oxo-4,6-diazaspiro[2.4]heptane-4-carboxylate?
The IUPAC name of tert-butyl (5S)-5-tert-butyl-2,2-dideuterio-6-methyl-7-oxo-4,6-diazaspiro[2.4]heptane-4-carboxylate (CID 134845024) is tert-butyl (5S)-5-tert-butyl-2,2-dideuterio-6-methyl-7-oxo-4,6-diazaspiro[2.4]heptane-4-carboxylate.
What is the SMILES notation for tert-butyl (5S)-5-tert-butyl-2,2-dideuterio-6-methyl-7-oxo-4,6-diazaspiro[2.4]heptane-4-carboxylate?
The canonical SMILES for tert-butyl (5S)-5-tert-butyl-2,2-dideuterio-6-methyl-7-oxo-4,6-diazaspiro[2.4]heptane-4-carboxylate is [2H]C1([2H])CC12C(=O)N(C)[C@H](C(C)(C)C)N2C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (5S)-5-tert-butyl-2,2-dideuterio-6-methyl-7-oxo-4,6-diazaspiro[2.4]heptane-4-carboxylate?
The InChIKey is SAHACFDBOWZSSO-PQVZAFPSSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-13(2,3)10-16(7)11(18)15(8-9-15)17(10)12(19)20-14(4,5)6/h10H,8-9H2,1-7H3/t10-/m0/s1/i8D2/t10-,15?.
What are the key properties of tert-butyl (5S)-5-tert-butyl-2,2-dideuterio-6-methyl-7-oxo-4,6-diazaspiro[2.4]heptane-4-carboxylate?
tert-butyl (5S)-5-tert-butyl-2,2-dideuterio-6-methyl-7-oxo-4,6-diazaspiro[2.4]heptane-4-carboxylate has a molecular weight of 284.40 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (5S)-5-tert-butyl-2,2-dideuterio-6-methyl-7-oxo-4,6-diazaspiro[2.4]heptane-4-carboxylate is sourced from PubChem (CID 134845024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).