(5S)-5-methyl-3-[[(2S)-oxolan-2-yl]methyl]-5-propan-2-ylimidazolidine-2,4-dione

C12H20N2O3 — CID 124881230

IUPAC(5S)-5-methyl-3-[[(2S)-oxolan-2-yl]methyl]-5-propan-2-ylimidazolidine-2,4-dione
SMILESCC(C)[C@]1(C)NC(=O)N(C[C@@H]2CCCO2)C1=O
InChIInChI=1S/C12H20N2O3/c1-8(2)12(3)10(15)14(11(16)13-12)7-9-5-4-6-17-9/h8-9H,4-7H2,1-3H3,(H,13,16)/t9-,12-/m0/s1
InChIKeyIFAIYURFNCYUDN-CABZTGNLSA-N
MW240.30 g/mol
LogP1.13
Rot. Bonds3

About (5S)-5-methyl-3-[[(2S)-oxolan-2-yl]methyl]-5-propan-2-ylimidazolidine-2,4-dione

(5S)-5-methyl-3-[[(2S)-oxolan-2-yl]methyl]-5-propan-2-ylimidazolidine-2,4-dione (PubChem CID 124881230) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is (5S)-5-methyl-3-[[(2S)-oxolan-2-yl]methyl]-5-propan-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-methyl-3-[[(2S)-oxolan-2-yl]methyl]-5-propan-2-ylimidazolidine-2,4-dione
PubChem CID124881230
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name(5S)-5-methyl-3-[[(2S)-oxolan-2-yl]methyl]-5-propan-2-ylimidazolidine-2,4-dione
SMILESCC(C)[C@]1(C)NC(=O)N(C[C@@H]2CCCO2)C1=O
InChIInChI=1S/C12H20N2O3/c1-8(2)12(3)10(15)14(11(16)13-12)7-9-5-4-6-17-9/h8-9H,4-7H2,1-3H3,(H,13,16)/t9-,12-/m0/s1
InChIKeyIFAIYURFNCYUDN-CABZTGNLSA-N
XLogP1.13
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5S)-5-methyl-3-[[(2S)-oxolan-2-yl]methyl]-5-propan-2-ylimidazolidine-2,4-dione with MolForge

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Related Compounds

(5S)-5-methyl-3-[[(2R)-oxolan-2-yl]methyl]-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 8643587
(5S)-5-methyl-3-[[(2S)-oxolan-2-yl]methyl]-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 8643575
8-methyl-3-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 4825972
3-[[(2S)-oxan-2-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 41176811
5-(4-tert-butylphenyl)-5-methyl-3-(oxolan-2-ylmethyl)imidazolidine-2,4-dione
CID 112774193
(5S)-5-(1,3-benzodioxol-5-yl)-5-methyl-3-[[(2R)-oxolan-2-yl]methyl]imidazolidine-2,4-dione
CID 8601366
5-ethyl-5-methyl-3-(oxolan-2-ylmethyl)-2-propan-2-ylimidazolidin-4-one
CID 83250968
3-(oxan-2-ylmethyl)-5,5-diphenylimidazolidine-2,4-dione
CID 43000639
6-cyclopropyl-3,3,6-trimethyl-1-(oxolan-2-ylmethyl)piperazine-2,5-dione
CID 64903543
1-(oxolan-2-ylmethyl)piperazine-2,6-dione
CID 64982518
3,6,6-triethyl-3-methyl-1-(oxolan-2-ylmethyl)piperazine-2,5-dione
CID 64885686
5-(3-bromophenyl)-5-methyl-3-(oxan-2-ylmethyl)imidazolidine-2,4-dione
CID 43001037

Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-3-[[(2S)-oxolan-2-yl]methyl]-5-propan-2-ylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-methyl-3-[[(2S)-oxolan-2-yl]methyl]-5-propan-2-ylimidazolidine-2,4-dione (CID 124881230) is (5S)-5-methyl-3-[[(2S)-oxolan-2-yl]methyl]-5-propan-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-methyl-3-[[(2S)-oxolan-2-yl]methyl]-5-propan-2-ylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-methyl-3-[[(2S)-oxolan-2-yl]methyl]-5-propan-2-ylimidazolidine-2,4-dione is CC(C)[C@]1(C)NC(=O)N(C[C@@H]2CCCO2)C1=O.
What is the InChIKey of (5S)-5-methyl-3-[[(2S)-oxolan-2-yl]methyl]-5-propan-2-ylimidazolidine-2,4-dione?
The InChIKey is IFAIYURFNCYUDN-CABZTGNLSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-8(2)12(3)10(15)14(11(16)13-12)7-9-5-4-6-17-9/h8-9H,4-7H2,1-3H3,(H,13,16)/t9-,12-/m0/s1.
What are the key properties of (5S)-5-methyl-3-[[(2S)-oxolan-2-yl]methyl]-5-propan-2-ylimidazolidine-2,4-dione?
(5S)-5-methyl-3-[[(2S)-oxolan-2-yl]methyl]-5-propan-2-ylimidazolidine-2,4-dione has a molecular weight of 240.30 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-3-[[(2S)-oxolan-2-yl]methyl]-5-propan-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 124881230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).