tert-butyl (6S,8S)-8-carbamoyl-11-oxo-9,12-diazadispiro[2.2.46.23]dodecane-9-carboxylate

C16H25N3O4 — CID 175903341

IUPACtert-butyl (6S,8S)-8-carbamoyl-11-oxo-9,12-diazadispiro[2.2.46.23]dodecane-9-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@]2(CCC3(CC3)NC2=O)C[C@H]1C(N)=O
InChIInChI=1S/C16H25N3O4/c1-14(2,3)23-13(22)19-9-15(8-10(19)11(17)20)4-5-16(6-7-16)18-12(15)21/h10H,4-9H2,1-3H3,(H2,17,20)(H,18,21)/t10-,15-/m0/s1
InChIKeyUVDLXXNIMLITNJ-BONVTDFDSA-N
MW323.39 g/mol
LogP0.91
Rot. Bonds1

About tert-butyl (6S,8S)-8-carbamoyl-11-oxo-9,12-diazadispiro[2.2.46.23]dodecane-9-carboxylate

tert-butyl (6S,8S)-8-carbamoyl-11-oxo-9,12-diazadispiro[2.2.46.23]dodecane-9-carboxylate (PubChem CID 175903341) has the molecular formula C16H25N3O4 and a molecular weight of 323.39 g/mol. Its IUPAC name is tert-butyl (6S,8S)-8-carbamoyl-11-oxo-9,12-diazadispiro[2.2.46.23]dodecane-9-carboxylate.

Molecular Properties

Compound Nametert-butyl (6S,8S)-8-carbamoyl-11-oxo-9,12-diazadispiro[2.2.46.23]dodecane-9-carboxylate
PubChem CID175903341
Molecular FormulaC16H25N3O4
Molecular Weight323.39 g/mol
Exact Mass323.18
IUPAC Nametert-butyl (6S,8S)-8-carbamoyl-11-oxo-9,12-diazadispiro[2.2.46.23]dodecane-9-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@]2(CCC3(CC3)NC2=O)C[C@H]1C(N)=O
InChIInChI=1S/C16H25N3O4/c1-14(2,3)23-13(22)19-9-15(8-10(19)11(17)20)4-5-16(6-7-16)18-12(15)21/h10H,4-9H2,1-3H3,(H2,17,20)(H,18,21)/t10-,15-/m0/s1
InChIKeyUVDLXXNIMLITNJ-BONVTDFDSA-N
XLogP0.91
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl (6S,8S)-8-carbamoyl-11-oxo-9,12-diazadispiro[2.2.46.23]dodecane-9-carboxylate with MolForge

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Related Compounds

tert-butyl (5S,8S)-8-carbamoyl-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate
CID 168792888
tert-butyl N-[(2S)-1-[(6S,8S)-8-carbamoyl-11-oxo-9,12-diazadispiro[2.2.46.23]dodecan-9-yl]-4-methyl-1-oxopentan-2-yl]-N-methylcarbamate
CID 175903625
tert-butyl (5R,7R)-7-ethyl-10-oxo-8,11-diazadispiro[2.1.45.23]undecane-8-carboxylate
CID 171733295
tert-butyl (2'S,3S)-2'-carbamoylspiro[1,2-dihydroindole-3,4'-pyrrolidine]-1'-carboxylate
CID 167078747
tert-butyl (2'S)-2'-carbamoyl-5-chloro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-carboxylate
CID 164777025
tert-butyl (2'S,3R)-2'-carbamoyl-2-oxospiro[1H-imidazo[1,2-b]indazole-3,4'-pyrrolidine]-1'-carboxylate
CID 171733314
tert-butyl (2R,2'S)-2'-carbamoyl-6-fluoro-3-oxospiro[4H-1,4-benzoxazine-2,4'-pyrrolidine]-1'-carboxylate
CID 171550103
tert-butyl (2'S,3R)-2'-carbamoyl-2-oxo-6-phenylspiro[1H-imidazo[2,1-e]pyrazole-3,4'-pyrrolidine]-1'-carboxylate
CID 171733539
ditert-butyl 3-carbamoyl-1-oxa-2,7-diazaspiro[4.4]non-3-ene-7,8-dicarboxylate
CID 123844401
tert-butyl 5-carbamoyl-2,2-dimethylpyrrolidine-1-carboxylate
CID 66630657
tert-butyl 2-carbamoyl-4-methylidenepyrrolidine-1-carboxylate
CID 66629943
tert-butyl (2R,2'S)-2'-carbamoyl-7-cyano-5-fluoro-3-oxospiro[4H-1,4-benzoxazine-2,4'-pyrrolidine]-1'-carboxylate
CID 171550047

Frequently Asked Questions

What is the IUPAC name of tert-butyl (6S,8S)-8-carbamoyl-11-oxo-9,12-diazadispiro[2.2.46.23]dodecane-9-carboxylate?
The IUPAC name of tert-butyl (6S,8S)-8-carbamoyl-11-oxo-9,12-diazadispiro[2.2.46.23]dodecane-9-carboxylate (CID 175903341) is tert-butyl (6S,8S)-8-carbamoyl-11-oxo-9,12-diazadispiro[2.2.46.23]dodecane-9-carboxylate.
What is the SMILES notation for tert-butyl (6S,8S)-8-carbamoyl-11-oxo-9,12-diazadispiro[2.2.46.23]dodecane-9-carboxylate?
The canonical SMILES for tert-butyl (6S,8S)-8-carbamoyl-11-oxo-9,12-diazadispiro[2.2.46.23]dodecane-9-carboxylate is CC(C)(C)OC(=O)N1C[C@]2(CCC3(CC3)NC2=O)C[C@H]1C(N)=O.
What is the InChIKey of tert-butyl (6S,8S)-8-carbamoyl-11-oxo-9,12-diazadispiro[2.2.46.23]dodecane-9-carboxylate?
The InChIKey is UVDLXXNIMLITNJ-BONVTDFDSA-N. The full InChI is InChI=1S/C16H25N3O4/c1-14(2,3)23-13(22)19-9-15(8-10(19)11(17)20)4-5-16(6-7-16)18-12(15)21/h10H,4-9H2,1-3H3,(H2,17,20)(H,18,21)/t10-,15-/m0/s1.
What are the key properties of tert-butyl (6S,8S)-8-carbamoyl-11-oxo-9,12-diazadispiro[2.2.46.23]dodecane-9-carboxylate?
tert-butyl (6S,8S)-8-carbamoyl-11-oxo-9,12-diazadispiro[2.2.46.23]dodecane-9-carboxylate has a molecular weight of 323.39 g/mol, XLogP of 0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (6S,8S)-8-carbamoyl-11-oxo-9,12-diazadispiro[2.2.46.23]dodecane-9-carboxylate is sourced from PubChem (CID 175903341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).