tert-butyl 2-(2,2-dimethylcyclopropanecarbonyl)-2,7-diazaspiro[3.4]octane-5-carboxylate

C17H28N2O3 — CID 170755384

IUPACtert-butyl 2-(2,2-dimethylcyclopropanecarbonyl)-2,7-diazaspiro[3.4]octane-5-carboxylate
SMILESCC(C)(C)OC(=O)C1CNCC12CN(C(=O)C1CC1(C)C)C2
InChIInChI=1S/C17H28N2O3/c1-15(2,3)22-14(21)12-7-18-8-17(12)9-19(10-17)13(20)11-6-16(11,4)5/h11-12,18H,6-10H2,1-5H3
InChIKeyIGYSRYPJXMXKKJ-UHFFFAOYSA-N
MW308.42 g/mol
LogP1.42
Rot. Bonds2

About tert-butyl 2-(2,2-dimethylcyclopropanecarbonyl)-2,7-diazaspiro[3.4]octane-5-carboxylate

tert-butyl 2-(2,2-dimethylcyclopropanecarbonyl)-2,7-diazaspiro[3.4]octane-5-carboxylate (PubChem CID 170755384) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is tert-butyl 2-(2,2-dimethylcyclopropanecarbonyl)-2,7-diazaspiro[3.4]octane-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(2,2-dimethylcyclopropanecarbonyl)-2,7-diazaspiro[3.4]octane-5-carboxylate
PubChem CID170755384
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Nametert-butyl 2-(2,2-dimethylcyclopropanecarbonyl)-2,7-diazaspiro[3.4]octane-5-carboxylate
SMILESCC(C)(C)OC(=O)C1CNCC12CN(C(=O)C1CC1(C)C)C2
InChIInChI=1S/C17H28N2O3/c1-15(2,3)22-14(21)12-7-18-8-17(12)9-19(10-17)13(20)11-6-16(11,4)5/h11-12,18H,6-10H2,1-5H3
InChIKeyIGYSRYPJXMXKKJ-UHFFFAOYSA-N
XLogP1.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-O-tert-butyl 9-O-ethyl 2,7-diazaspiro[4.4]nonane-2,9-dicarboxylate
CID 71305548
2-O-tert-butyl 9-O-ethyl (5R,9R)-2,7-diazaspiro[4.4]nonane-2,9-dicarboxylate
CID 97111372
tert-butyl 2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-5-(hydroxymethyl)-2,7-diazaspiro[3.4]octane-7-carboxylate
CID 170756961
tert-butyl 4-hydroxy-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 83488546
tert-butyl (1R)-2,2-dichlorocyclopropane-1-carboxylate
CID 7003899
tert-butyl 5-hydroxy-2,8-diazaspiro[3.5]nonane-2-carboxylate
CID 82386806
tert-butyl N-[(3S)-4,4-dimethylpyrrolidin-3-yl]carbamate
CID 45092197
methyl 2-methoxy-6-azaspiro[3.4]octane-8-carboxylate
CID 106824169
2-[1-(trifluoromethyl)cyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxylic acid
CID 175981367
(4-chloropiperidin-1-yl)-(2,2-dimethylcyclopropyl)methanone
CID 107003166
methyl 6-azaspiro[3.4]octane-8-carboxylate
CID 86811534
methyl (4S)-2-azaspiro[4.4]nonane-4-carboxylate
CID 129381539

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2,2-dimethylcyclopropanecarbonyl)-2,7-diazaspiro[3.4]octane-5-carboxylate?
The IUPAC name of tert-butyl 2-(2,2-dimethylcyclopropanecarbonyl)-2,7-diazaspiro[3.4]octane-5-carboxylate (CID 170755384) is tert-butyl 2-(2,2-dimethylcyclopropanecarbonyl)-2,7-diazaspiro[3.4]octane-5-carboxylate.
What is the SMILES notation for tert-butyl 2-(2,2-dimethylcyclopropanecarbonyl)-2,7-diazaspiro[3.4]octane-5-carboxylate?
The canonical SMILES for tert-butyl 2-(2,2-dimethylcyclopropanecarbonyl)-2,7-diazaspiro[3.4]octane-5-carboxylate is CC(C)(C)OC(=O)C1CNCC12CN(C(=O)C1CC1(C)C)C2.
What is the InChIKey of tert-butyl 2-(2,2-dimethylcyclopropanecarbonyl)-2,7-diazaspiro[3.4]octane-5-carboxylate?
The InChIKey is IGYSRYPJXMXKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-15(2,3)22-14(21)12-7-18-8-17(12)9-19(10-17)13(20)11-6-16(11,4)5/h11-12,18H,6-10H2,1-5H3.
What are the key properties of tert-butyl 2-(2,2-dimethylcyclopropanecarbonyl)-2,7-diazaspiro[3.4]octane-5-carboxylate?
tert-butyl 2-(2,2-dimethylcyclopropanecarbonyl)-2,7-diazaspiro[3.4]octane-5-carboxylate has a molecular weight of 308.42 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2,2-dimethylcyclopropanecarbonyl)-2,7-diazaspiro[3.4]octane-5-carboxylate is sourced from PubChem (CID 170755384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).