2-[(4S)-1,4-dimethyl-2,5-dioxoimidazolidin-4-yl]ethyl-trimethylazanium

C10H20N3O2+ — CID 102238148

IUPAC2-[(4S)-1,4-dimethyl-2,5-dioxoimidazolidin-4-yl]ethyl-trimethylazanium
SMILESCN1C(=O)N[C@@](C)(CC[N+](C)(C)C)C1=O
InChIInChI=1S/C10H19N3O2/c1-10(6-7-13(3,4)5)8(14)12(2)9(15)11-10/h6-7H2,1-5H3/p+1/t10-/m0/s1
InChIKeyMKHUPWLKESLYDD-JTQLQIEISA-O
MW214.29 g/mol
LogP0.02
Rot. Bonds3

About 2-[(4S)-1,4-dimethyl-2,5-dioxoimidazolidin-4-yl]ethyl-trimethylazanium

2-[(4S)-1,4-dimethyl-2,5-dioxoimidazolidin-4-yl]ethyl-trimethylazanium (PubChem CID 102238148) has the molecular formula C10H20N3O2+ and a molecular weight of 214.29 g/mol. Its IUPAC name is 2-[(4S)-1,4-dimethyl-2,5-dioxoimidazolidin-4-yl]ethyl-trimethylazanium.

Molecular Properties

Compound Name2-[(4S)-1,4-dimethyl-2,5-dioxoimidazolidin-4-yl]ethyl-trimethylazanium
PubChem CID102238148
Molecular FormulaC10H20N3O2+
Molecular Weight214.29 g/mol
Exact Mass214.16
IUPAC Name2-[(4S)-1,4-dimethyl-2,5-dioxoimidazolidin-4-yl]ethyl-trimethylazanium
SMILESCN1C(=O)N[C@@](C)(CC[N+](C)(C)C)C1=O
InChIInChI=1S/C10H19N3O2/c1-10(6-7-13(3,4)5)8(14)12(2)9(15)11-10/h6-7H2,1-5H3/p+1/t10-/m0/s1
InChIKeyMKHUPWLKESLYDD-JTQLQIEISA-O
XLogP0.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

5,5-diiodo-3-methylimidazolidine-2,4-dione
CID 163809160
5-ethyl-3-methyl-5-sulfanylimidazolidine-2,4-dione
CID 87701231
2-[4-(3-aminopropyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 21357443
3,7,7,8,9,9-hexamethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 18714089
CID 59061380
CID 59061380
5-methyl-3-propyl-5-(sulfanylmethyl)imidazolidine-2,4-dione
CID 87234072
3-(3-chloro-2,2,5,5-tetramethyl-4-oxoimidazolidin-1-yl)propyl-trimethylazanium chloride
CID 46202348
2-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetaldehyde
CID 62022872
3-(2-fluoroethyl)-5,5-dimethylimidazolidine-2,4-dione
CID 131132087
butyl-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-dimethylazanium
CID 158812623
2-[(4R)-1-methyl-2,5-dioxo-4-phenylimidazolidin-4-yl]ethylazanium chloride
CID 10612066
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-dimethyl-prop-2-enylazanium
CID 157049530

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-1,4-dimethyl-2,5-dioxoimidazolidin-4-yl]ethyl-trimethylazanium?
The IUPAC name of 2-[(4S)-1,4-dimethyl-2,5-dioxoimidazolidin-4-yl]ethyl-trimethylazanium (CID 102238148) is 2-[(4S)-1,4-dimethyl-2,5-dioxoimidazolidin-4-yl]ethyl-trimethylazanium.
What is the SMILES notation for 2-[(4S)-1,4-dimethyl-2,5-dioxoimidazolidin-4-yl]ethyl-trimethylazanium?
The canonical SMILES for 2-[(4S)-1,4-dimethyl-2,5-dioxoimidazolidin-4-yl]ethyl-trimethylazanium is CN1C(=O)N[C@@](C)(CC[N+](C)(C)C)C1=O.
What is the InChIKey of 2-[(4S)-1,4-dimethyl-2,5-dioxoimidazolidin-4-yl]ethyl-trimethylazanium?
The InChIKey is MKHUPWLKESLYDD-JTQLQIEISA-O. The full InChI is InChI=1S/C10H19N3O2/c1-10(6-7-13(3,4)5)8(14)12(2)9(15)11-10/h6-7H2,1-5H3/p+1/t10-/m0/s1.
What are the key properties of 2-[(4S)-1,4-dimethyl-2,5-dioxoimidazolidin-4-yl]ethyl-trimethylazanium?
2-[(4S)-1,4-dimethyl-2,5-dioxoimidazolidin-4-yl]ethyl-trimethylazanium has a molecular weight of 214.29 g/mol, XLogP of 0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-1,4-dimethyl-2,5-dioxoimidazolidin-4-yl]ethyl-trimethylazanium is sourced from PubChem (CID 102238148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).