2,2-dimethylpropyl (5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxylate

C15H26N2O3 — CID 95200256

IUPAC2,2-dimethylpropyl (5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxylate
SMILESCN1CCC[C@@]2(CCN(C(=O)OCC(C)(C)C)C2)C1=O
InChIInChI=1S/C15H26N2O3/c1-14(2,3)11-20-13(19)17-9-7-15(10-17)6-5-8-16(4)12(15)18/h5-11H2,1-4H3/t15-/m0/s1
InChIKeyGPVAUPDCKOTMCH-HNNXBMFYSA-N
MW282.38 g/mol
LogP2.11
Rot. Bonds1

About 2,2-dimethylpropyl (5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxylate

2,2-dimethylpropyl (5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxylate (PubChem CID 95200256) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2,2-dimethylpropyl (5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxylate.

Molecular Properties

Compound Name2,2-dimethylpropyl (5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxylate
PubChem CID95200256
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name2,2-dimethylpropyl (5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxylate
SMILESCN1CCC[C@@]2(CCN(C(=O)OCC(C)(C)C)C2)C1=O
InChIInChI=1S/C15H26N2O3/c1-14(2,3)11-20-13(19)17-9-7-15(10-17)6-5-8-16(4)12(15)18/h5-11H2,1-4H3/t15-/m0/s1
InChIKeyGPVAUPDCKOTMCH-HNNXBMFYSA-N
XLogP2.11
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethylpropyl (5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxylate with MolForge

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Related Compounds

1-[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-morpholin-4-ylethane-1,2-dione
CID 95221755
2-(4-ethenylbenzoyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 45205610
4-[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]benzonitrile
CID 97139079
5,5-dimethyl-1-[2-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 72934259
(5R)-2-[3-(4-fluorophenyl)propanoyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 97156965
N-(4-ethoxyphenyl)-3-[(5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-3-oxopropanamide
CID 95197913
N-[4-[(5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]phenyl]ethanesulfonamide
CID 97124077
2-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 119059917
7-methyl-2-(1-phenylcyclopentanecarbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72907513
(5S)-2,7-dimethyl-2,7-diazaspiro[4.5]decan-6-one;ethane;methane
CID 161052527
(5R)-7-methyl-2-(2-propoxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 95201542
2-[2-(3,4-difluorophenyl)acetyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 45205435

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropyl (5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxylate?
The IUPAC name of 2,2-dimethylpropyl (5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxylate (CID 95200256) is 2,2-dimethylpropyl (5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxylate.
What is the SMILES notation for 2,2-dimethylpropyl (5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxylate?
The canonical SMILES for 2,2-dimethylpropyl (5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxylate is CN1CCC[C@@]2(CCN(C(=O)OCC(C)(C)C)C2)C1=O.
What is the InChIKey of 2,2-dimethylpropyl (5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxylate?
The InChIKey is GPVAUPDCKOTMCH-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-14(2,3)11-20-13(19)17-9-7-15(10-17)6-5-8-16(4)12(15)18/h5-11H2,1-4H3/t15-/m0/s1.
What are the key properties of 2,2-dimethylpropyl (5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxylate?
2,2-dimethylpropyl (5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxylate has a molecular weight of 282.38 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropyl (5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxylate is sourced from PubChem (CID 95200256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).