ditert-butyl 3-carbamoyl-1-oxa-2,7-diazaspiro[4.4]non-3-ene-7,8-dicarboxylate

C17H27N3O6 — CID 123844401

IUPACditert-butyl 3-carbamoyl-1-oxa-2,7-diazaspiro[4.4]non-3-ene-7,8-dicarboxylate
SMILESCC(C)(C)OC(=O)C1CC2(C=C(C(N)=O)NO2)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C17H27N3O6/c1-15(2,3)24-13(22)11-8-17(7-10(12(18)21)19-26-17)9-20(11)14(23)25-16(4,5)6/h7,11,19H,8-9H2,1-6H3,(H2,18,21)
InChIKeyUZNRYPKGUISSJK-UHFFFAOYSA-N
MW369.42 g/mol
LogP0.98
Rot. Bonds2

About ditert-butyl 3-carbamoyl-1-oxa-2,7-diazaspiro[4.4]non-3-ene-7,8-dicarboxylate

ditert-butyl 3-carbamoyl-1-oxa-2,7-diazaspiro[4.4]non-3-ene-7,8-dicarboxylate (PubChem CID 123844401) has the molecular formula C17H27N3O6 and a molecular weight of 369.42 g/mol. Its IUPAC name is ditert-butyl 3-carbamoyl-1-oxa-2,7-diazaspiro[4.4]non-3-ene-7,8-dicarboxylate.

Molecular Properties

Compound Nameditert-butyl 3-carbamoyl-1-oxa-2,7-diazaspiro[4.4]non-3-ene-7,8-dicarboxylate
PubChem CID123844401
Molecular FormulaC17H27N3O6
Molecular Weight369.42 g/mol
Exact Mass369.19
IUPAC Nameditert-butyl 3-carbamoyl-1-oxa-2,7-diazaspiro[4.4]non-3-ene-7,8-dicarboxylate
SMILESCC(C)(C)OC(=O)C1CC2(C=C(C(N)=O)NO2)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C17H27N3O6/c1-15(2,3)24-13(22)11-8-17(7-10(12(18)21)19-26-17)9-20(11)14(23)25-16(4,5)6/h7,11,19H,8-9H2,1-6H3,(H2,18,21)
InChIKeyUZNRYPKGUISSJK-UHFFFAOYSA-N
XLogP0.98
TPSA120.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ditert-butyl 3-carbamoyl-1-oxa-2,7-diazaspiro[4.4]non-3-ene-7,8-dicarboxylate with MolForge

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

Launch Full Analysis

Related Compounds

(5S,8S)-3-(1,3-benzodioxol-5-yl)-7-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-2,7-diazaspiro[4.4]non-3-ene-8-carboxylic acid
CID 123919141
tert-butyl (5S,8S)-8-carbamoyl-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate
CID 168792888
ditert-butyl 3-(2-methyltetrazol-5-yl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-7,8-dicarboxylate
CID 58938997
ditert-butyl (2S)-4-(aminomethyl)-4-[(4-methyl-1,3-dioxetan-2-yl)methyl]pyrrolidine-1,2-dicarboxylate
CID 70286784
tert-butyl (6S,8S)-8-carbamoyl-11-oxo-9,12-diazadispiro[2.2.46.23]dodecane-9-carboxylate
CID 175903341
1-O-tert-butyl 2-O-ethyl (2S)-4,4-difluoropyrrolidine-1,2-dicarboxylate
CID 91825949
ditert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1,2-dicarboxylate
CID 155672791
tert-butyl (2'S,3S)-2'-carbamoylspiro[1,2-dihydroindole-3,4'-pyrrolidine]-1'-carboxylate
CID 167078747
ditert-butyl azetidine-1,2-dicarboxylate
CID 14821737
2-O-benzyl 1-O-tert-butyl (2S,4R)-4-ethyl-4-fluoropyrrolidine-1,2-dicarboxylate
CID 126653832
2-O-benzyl 1-O-tert-butyl (4R)-4-fluoro-4-methylpyrrolidine-1,2-dicarboxylate
CID 126642822
tert-butyl (2'S)-2'-carbamoyl-5-chloro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-carboxylate
CID 164777025

Frequently Asked Questions

What is the IUPAC name of ditert-butyl 3-carbamoyl-1-oxa-2,7-diazaspiro[4.4]non-3-ene-7,8-dicarboxylate?
The IUPAC name of ditert-butyl 3-carbamoyl-1-oxa-2,7-diazaspiro[4.4]non-3-ene-7,8-dicarboxylate (CID 123844401) is ditert-butyl 3-carbamoyl-1-oxa-2,7-diazaspiro[4.4]non-3-ene-7,8-dicarboxylate.
What is the SMILES notation for ditert-butyl 3-carbamoyl-1-oxa-2,7-diazaspiro[4.4]non-3-ene-7,8-dicarboxylate?
The canonical SMILES for ditert-butyl 3-carbamoyl-1-oxa-2,7-diazaspiro[4.4]non-3-ene-7,8-dicarboxylate is CC(C)(C)OC(=O)C1CC2(C=C(C(N)=O)NO2)CN1C(=O)OC(C)(C)C.
What is the InChIKey of ditert-butyl 3-carbamoyl-1-oxa-2,7-diazaspiro[4.4]non-3-ene-7,8-dicarboxylate?
The InChIKey is UZNRYPKGUISSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O6/c1-15(2,3)24-13(22)11-8-17(7-10(12(18)21)19-26-17)9-20(11)14(23)25-16(4,5)6/h7,11,19H,8-9H2,1-6H3,(H2,18,21).
What are the key properties of ditert-butyl 3-carbamoyl-1-oxa-2,7-diazaspiro[4.4]non-3-ene-7,8-dicarboxylate?
ditert-butyl 3-carbamoyl-1-oxa-2,7-diazaspiro[4.4]non-3-ene-7,8-dicarboxylate has a molecular weight of 369.42 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl 3-carbamoyl-1-oxa-2,7-diazaspiro[4.4]non-3-ene-7,8-dicarboxylate is sourced from PubChem (CID 123844401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).