(5S)-5-[(2S)-butan-2-yl]-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)imidazolidine-2,4-dione

C15H25N3O2 — CID 128840497

IUPAC(5S)-5-[(2S)-butan-2-yl]-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)imidazolidine-2,4-dione
SMILESCC[C@H](C)[C@@H]1NC(=O)N(C2CC3CCC(C2)N3C)C1=O
InChIInChI=1S/C15H25N3O2/c1-4-9(2)13-14(19)18(15(20)16-13)12-7-10-5-6-11(8-12)17(10)3/h9-13H,4-8H2,1-3H3,(H,16,20)/t9-,10?,11?,12?,13-/m0/s1
InChIKeyXYMYSLJUCHSHMF-SGNUNNOASA-N
MW279.38 g/mol
LogP1.58
Rot. Bonds3

About (5S)-5-[(2S)-butan-2-yl]-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)imidazolidine-2,4-dione

(5S)-5-[(2S)-butan-2-yl]-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)imidazolidine-2,4-dione (PubChem CID 128840497) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is (5S)-5-[(2S)-butan-2-yl]-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[(2S)-butan-2-yl]-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)imidazolidine-2,4-dione
PubChem CID128840497
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name(5S)-5-[(2S)-butan-2-yl]-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)imidazolidine-2,4-dione
SMILESCC[C@H](C)[C@@H]1NC(=O)N(C2CC3CCC(C2)N3C)C1=O
InChIInChI=1S/C15H25N3O2/c1-4-9(2)13-14(19)18(15(20)16-13)12-7-10-5-6-11(8-12)17(10)3/h9-13H,4-8H2,1-3H3,(H,16,20)/t9-,10?,11?,12?,13-/m0/s1
InChIKeyXYMYSLJUCHSHMF-SGNUNNOASA-N
XLogP1.58
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5S)-5-[(2S)-butan-2-yl]-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)imidazolidine-2,4-dione with MolForge

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Related Compounds

(5R)-5-[(2R)-butan-2-yl]-3-cyclohexylimidazolidine-2,4-dione
CID 71829300
3-butan-2-yl-1-methylpiperazine-2,5-dione
CID 64880533
(5S)-5-[(2R)-butan-2-yl]-3-cyclohexyl-2-sulfanylideneimidazolidin-4-one
CID 801254
(3S,6S)-3,6-bis[(2R)-butan-2-yl]piperazine-2,5-dione
CID 7076241
6-butan-2-yl-1,6,7,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione
CID 11436446
3-butan-2-yl-1-(1-methylpiperidin-4-yl)-1,4-diazepane-2,5-dione
CID 64960078
5-butan-2-yl-3-(3,4-dimethylcyclohexyl)-2-methylimidazolidin-4-one
CID 83263151
3-butan-2-yl-1-(2-fluoroethyl)piperazine-2,5-dione
CID 80697451
3-butan-2-yl-6-methyl-1-(1-methylpiperidin-4-yl)piperazine-2,5-dione
CID 64960169
3-butan-2-yl-1-pentylpiperazine-2,5-dione
CID 64881502
3-butan-2-yl-1-cycloheptyl-1,4-diazepane-2,5-dione
CID 64959828
3-butan-2-yl-6-methyl-1-(2-propan-2-ylsulfonylethyl)piperazine-2,5-dione
CID 106733586

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(2S)-butan-2-yl]-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[(2S)-butan-2-yl]-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)imidazolidine-2,4-dione (CID 128840497) is (5S)-5-[(2S)-butan-2-yl]-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[(2S)-butan-2-yl]-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[(2S)-butan-2-yl]-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)imidazolidine-2,4-dione is CC[C@H](C)[C@@H]1NC(=O)N(C2CC3CCC(C2)N3C)C1=O.
What is the InChIKey of (5S)-5-[(2S)-butan-2-yl]-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)imidazolidine-2,4-dione?
The InChIKey is XYMYSLJUCHSHMF-SGNUNNOASA-N. The full InChI is InChI=1S/C15H25N3O2/c1-4-9(2)13-14(19)18(15(20)16-13)12-7-10-5-6-11(8-12)17(10)3/h9-13H,4-8H2,1-3H3,(H,16,20)/t9-,10?,11?,12?,13-/m0/s1.
What are the key properties of (5S)-5-[(2S)-butan-2-yl]-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)imidazolidine-2,4-dione?
(5S)-5-[(2S)-butan-2-yl]-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)imidazolidine-2,4-dione has a molecular weight of 279.38 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(2S)-butan-2-yl]-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 128840497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).