tert-butyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxospiro[4.5]decane-8-carboxylate

C20H33NO5 — CID 170924650

IUPACtert-butyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxospiro[4.5]decane-8-carboxylate
SMILESCC(C)(C)OC(=O)NC1CC(=O)CC12CCC(C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C20H33NO5/c1-18(2,3)25-16(23)13-7-9-20(10-8-13)12-14(22)11-15(20)21-17(24)26-19(4,5)6/h13,15H,7-12H2,1-6H3,(H,21,24)
InChIKeyGRNGPUNOSJNHLQ-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.76
Rot. Bonds2

About tert-butyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxospiro[4.5]decane-8-carboxylate

tert-butyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxospiro[4.5]decane-8-carboxylate (PubChem CID 170924650) has the molecular formula C20H33NO5 and a molecular weight of 367.49 g/mol. Its IUPAC name is tert-butyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxospiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxospiro[4.5]decane-8-carboxylate
PubChem CID170924650
Molecular FormulaC20H33NO5
Molecular Weight367.49 g/mol
Exact Mass367.24
IUPAC Nametert-butyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxospiro[4.5]decane-8-carboxylate
SMILESCC(C)(C)OC(=O)NC1CC(=O)CC12CCC(C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C20H33NO5/c1-18(2,3)25-16(23)13-7-9-20(10-8-13)12-14(22)11-15(20)21-17(24)26-19(4,5)6/h13,15H,7-12H2,1-6H3,(H,21,24)
InChIKeyGRNGPUNOSJNHLQ-UHFFFAOYSA-N
XLogP3.76
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxospiro[4.5]decane-8-carboxylate?
The IUPAC name of tert-butyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxospiro[4.5]decane-8-carboxylate (CID 170924650) is tert-butyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxospiro[4.5]decane-8-carboxylate.
What is the SMILES notation for tert-butyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxospiro[4.5]decane-8-carboxylate?
The canonical SMILES for tert-butyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxospiro[4.5]decane-8-carboxylate is CC(C)(C)OC(=O)NC1CC(=O)CC12CCC(C(=O)OC(C)(C)C)CC2.
What is the InChIKey of tert-butyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxospiro[4.5]decane-8-carboxylate?
The InChIKey is GRNGPUNOSJNHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO5/c1-18(2,3)25-16(23)13-7-9-20(10-8-13)12-14(22)11-15(20)21-17(24)26-19(4,5)6/h13,15H,7-12H2,1-6H3,(H,21,24).
What are the key properties of tert-butyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxospiro[4.5]decane-8-carboxylate?
tert-butyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxospiro[4.5]decane-8-carboxylate has a molecular weight of 367.49 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxospiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 170924650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).