(5S)-5-[3-(2-azaspiro[4.4]nonan-2-yl)-3-oxopropyl]imidazolidine-2,4-dione

C14H21N3O3 — CID 131945019

IUPAC(5S)-5-[3-(2-azaspiro[4.4]nonan-2-yl)-3-oxopropyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@H](CCC(=O)N2CCC3(CCCC3)C2)N1
InChIInChI=1S/C14H21N3O3/c18-11(4-3-10-12(19)16-13(20)15-10)17-8-7-14(9-17)5-1-2-6-14/h10H,1-9H2,(H2,15,16,19,20)/t10-/m0/s1
InChIKeyVOJCEHQHUKNNIY-JTQLQIEISA-N
MW279.34 g/mol
LogP0.77
Rot. Bonds3

About (5S)-5-[3-(2-azaspiro[4.4]nonan-2-yl)-3-oxopropyl]imidazolidine-2,4-dione

(5S)-5-[3-(2-azaspiro[4.4]nonan-2-yl)-3-oxopropyl]imidazolidine-2,4-dione (PubChem CID 131945019) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is (5S)-5-[3-(2-azaspiro[4.4]nonan-2-yl)-3-oxopropyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[3-(2-azaspiro[4.4]nonan-2-yl)-3-oxopropyl]imidazolidine-2,4-dione
PubChem CID131945019
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name(5S)-5-[3-(2-azaspiro[4.4]nonan-2-yl)-3-oxopropyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@H](CCC(=O)N2CCC3(CCCC3)C2)N1
InChIInChI=1S/C14H21N3O3/c18-11(4-3-10-12(19)16-13(20)15-10)17-8-7-14(9-17)5-1-2-6-14/h10H,1-9H2,(H2,15,16,19,20)/t10-/m0/s1
InChIKeyVOJCEHQHUKNNIY-JTQLQIEISA-N
XLogP0.77
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-[3-oxo-3-(3-piperidin-1-ylazetidin-1-yl)propyl]imidazolidine-2,4-dione
CID 131942530
(5S)-5-[3-[4-[2-(azepan-1-yl)acetyl]-1,4-diazepan-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 134700248
3-amino-1-(2-azaspiro[4.5]decan-2-yl)propan-1-one
CID 83628810
(5R)-5-[3-(4-benzoylpiperazin-1-yl)-3-oxopropyl]imidazolidine-2,4-dione
CID 94150710
(5R)-5-[3-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 97114558
5-[3-oxo-3-[4-(4-phenylphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione
CID 164621686
5-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]imidazolidine-2,4-dione
CID 164610328
1-(6-azaspiro[3.4]octan-6-yl)-2-chloroethanone
CID 130670155
3-(2-aminoethoxy)-1-(2-azaspiro[4.4]nonan-2-yl)propan-1-one
CID 112739108
3-(1-acetylpiperidin-4-yl)-1-(2-azaspiro[5.6]dodecan-2-yl)propan-1-one
CID 71926235
5-[3-oxo-3-(4-pyridin-3-ylpiperazin-1-yl)propyl]imidazolidine-2,4-dione
CID 70736756
cyclopropane;5-[3-(7-fluoro-5-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-oxopropyl]imidazolidine-2,4-dione
CID 156822959

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[3-(2-azaspiro[4.4]nonan-2-yl)-3-oxopropyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[3-(2-azaspiro[4.4]nonan-2-yl)-3-oxopropyl]imidazolidine-2,4-dione (CID 131945019) is (5S)-5-[3-(2-azaspiro[4.4]nonan-2-yl)-3-oxopropyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[3-(2-azaspiro[4.4]nonan-2-yl)-3-oxopropyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[3-(2-azaspiro[4.4]nonan-2-yl)-3-oxopropyl]imidazolidine-2,4-dione is O=C1NC(=O)[C@H](CCC(=O)N2CCC3(CCCC3)C2)N1.
What is the InChIKey of (5S)-5-[3-(2-azaspiro[4.4]nonan-2-yl)-3-oxopropyl]imidazolidine-2,4-dione?
The InChIKey is VOJCEHQHUKNNIY-JTQLQIEISA-N. The full InChI is InChI=1S/C14H21N3O3/c18-11(4-3-10-12(19)16-13(20)15-10)17-8-7-14(9-17)5-1-2-6-14/h10H,1-9H2,(H2,15,16,19,20)/t10-/m0/s1.
What are the key properties of (5S)-5-[3-(2-azaspiro[4.4]nonan-2-yl)-3-oxopropyl]imidazolidine-2,4-dione?
(5S)-5-[3-(2-azaspiro[4.4]nonan-2-yl)-3-oxopropyl]imidazolidine-2,4-dione has a molecular weight of 279.34 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[3-(2-azaspiro[4.4]nonan-2-yl)-3-oxopropyl]imidazolidine-2,4-dione is sourced from PubChem (CID 131945019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).