3-[2-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

C17H29N3O3 — CID 99706503

IUPAC3-[2-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCC1(C)C[C@@H](NCCN2C(=O)NC3(CCCC3)C2=O)C(C)(C)O1
InChIInChI=1S/C17H29N3O3/c1-15(2)11-12(16(3,4)23-15)18-9-10-20-13(21)17(19-14(20)22)7-5-6-8-17/h12,18H,5-11H2,1-4H3,(H,19,22)/t12-/m1/s1
InChIKeyWIDROAHLYSVKFW-GFCCVEGCSA-N
MW323.44 g/mol
LogP1.79
Rot. Bonds4

About 3-[2-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

3-[2-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 99706503) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is 3-[2-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name3-[2-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID99706503
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC Name3-[2-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCC1(C)C[C@@H](NCCN2C(=O)NC3(CCCC3)C2=O)C(C)(C)O1
InChIInChI=1S/C17H29N3O3/c1-15(2)11-12(16(3,4)23-15)18-9-10-20-13(21)17(19-14(20)22)7-5-6-8-17/h12,18H,5-11H2,1-4H3,(H,19,22)/t12-/m1/s1
InChIKeyWIDROAHLYSVKFW-GFCCVEGCSA-N
XLogP1.79
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

3-butyl-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 13436719
3-(2-hydroxyethyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 43509728
3-(2-aminoethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 18071047
3-(2-hydroxyethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 12866
3-[2-[(2,6-dimethylcyclohexyl)amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 75444192
3-(3-aminopropyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 25323207
3-(3-oxobutyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 60666732
3-(2-azidoethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 61396486
3-(3-aminopropyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 18071372
3-(3-hydroxypropyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 43509729
3-[2-(azetidin-3-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 107391096
3-(4-oxopentyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 62019381

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 3-[2-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 99706503) is 3-[2-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 3-[2-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 3-[2-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is CC1(C)C[C@@H](NCCN2C(=O)NC3(CCCC3)C2=O)C(C)(C)O1.
What is the InChIKey of 3-[2-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is WIDROAHLYSVKFW-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H29N3O3/c1-15(2)11-12(16(3,4)23-15)18-9-10-20-13(21)17(19-14(20)22)7-5-6-8-17/h12,18H,5-11H2,1-4H3,(H,19,22)/t12-/m1/s1.
What are the key properties of 3-[2-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
3-[2-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 323.44 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 99706503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).