tert-butyl (5S,8S)-8-carbamoyl-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate

C13H21N3O4 — CID 168792888

IUPACtert-butyl (5S,8S)-8-carbamoyl-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@]2(CCNC2=O)C[C@H]1C(N)=O
InChIInChI=1S/C13H21N3O4/c1-12(2,3)20-11(19)16-7-13(4-5-15-10(13)18)6-8(16)9(14)17/h8H,4-7H2,1-3H3,(H2,14,17)(H,15,18)/t8-,13-/m0/s1
InChIKeyOHNDBRVEGWYVRR-SDBXPKJASA-N
MW283.33 g/mol
LogP-0.01
Rot. Bonds1

About tert-butyl (5S,8S)-8-carbamoyl-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate

tert-butyl (5S,8S)-8-carbamoyl-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate (PubChem CID 168792888) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is tert-butyl (5S,8S)-8-carbamoyl-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate.

Molecular Properties

Compound Nametert-butyl (5S,8S)-8-carbamoyl-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate
PubChem CID168792888
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Nametert-butyl (5S,8S)-8-carbamoyl-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@]2(CCNC2=O)C[C@H]1C(N)=O
InChIInChI=1S/C13H21N3O4/c1-12(2,3)20-11(19)16-7-13(4-5-15-10(13)18)6-8(16)9(14)17/h8H,4-7H2,1-3H3,(H2,14,17)(H,15,18)/t8-,13-/m0/s1
InChIKeyOHNDBRVEGWYVRR-SDBXPKJASA-N
XLogP-0.01
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl (5S,8S)-8-carbamoyl-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate with MolForge

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Related Compounds

tert-butyl (6S,8S)-8-carbamoyl-11-oxo-9,12-diazadispiro[2.2.46.23]dodecane-9-carboxylate
CID 175903341
tert-butyl (2'S,3S)-2'-carbamoylspiro[1,2-dihydroindole-3,4'-pyrrolidine]-1'-carboxylate
CID 167078747
tert-butyl (5S)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate
CID 86330800
tert-butyl (5R)-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 86326950
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 (2'S)-2'-carbamoyl-5-chloro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-carboxylate
CID 164777025
tert-butyl (5R,7R)-7-ethyl-10-oxo-8,11-diazadispiro[2.1.45.23]undecane-8-carboxylate
CID 171733295
tert-butyl (5R)-1-oxo-2,9-diazaspiro[4.6]undecane-9-carboxylate
CID 124518584
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-oxospiro[1H-imidazo[1,2-b]indazole-3,4'-pyrrolidine]-1'-carboxylate
CID 171733314
ditert-butyl 3-carbamoyl-1-oxa-2,7-diazaspiro[4.4]non-3-ene-7,8-dicarboxylate
CID 123844401
tert-butyl 1-oxo-2,8-diazaspiro[5.5]undecane-8-carboxylate
CID 45074355

Frequently Asked Questions

What is the IUPAC name of tert-butyl (5S,8S)-8-carbamoyl-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate?
The IUPAC name of tert-butyl (5S,8S)-8-carbamoyl-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate (CID 168792888) is tert-butyl (5S,8S)-8-carbamoyl-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate.
What is the SMILES notation for tert-butyl (5S,8S)-8-carbamoyl-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate?
The canonical SMILES for tert-butyl (5S,8S)-8-carbamoyl-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate is CC(C)(C)OC(=O)N1C[C@]2(CCNC2=O)C[C@H]1C(N)=O.
What is the InChIKey of tert-butyl (5S,8S)-8-carbamoyl-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate?
The InChIKey is OHNDBRVEGWYVRR-SDBXPKJASA-N. The full InChI is InChI=1S/C13H21N3O4/c1-12(2,3)20-11(19)16-7-13(4-5-15-10(13)18)6-8(16)9(14)17/h8H,4-7H2,1-3H3,(H2,14,17)(H,15,18)/t8-,13-/m0/s1.
What are the key properties of tert-butyl (5S,8S)-8-carbamoyl-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate?
tert-butyl (5S,8S)-8-carbamoyl-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate has a molecular weight of 283.33 g/mol, XLogP of -0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (5S,8S)-8-carbamoyl-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate is sourced from PubChem (CID 168792888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).