ethyl 2-[1-(2-hydroxyethyl)-4-methyl-2,5-dioxoimidazolidin-4-yl]butanoate

C12H20N2O5 — CID 20833913

IUPACethyl 2-[1-(2-hydroxyethyl)-4-methyl-2,5-dioxoimidazolidin-4-yl]butanoate
SMILESCCOC(=O)C(CC)C1(C)NC(=O)N(CCO)C1=O
InChIInChI=1S/C12H20N2O5/c1-4-8(9(16)19-5-2)12(3)10(17)14(6-7-15)11(18)13-12/h8,15H,4-7H2,1-3H3,(H,13,18)
InChIKeyLLRYNEFKGQVENC-UHFFFAOYSA-N
MW272.30 g/mol
LogP-0.12
Rot. Bonds6

About ethyl 2-[1-(2-hydroxyethyl)-4-methyl-2,5-dioxoimidazolidin-4-yl]butanoate

ethyl 2-[1-(2-hydroxyethyl)-4-methyl-2,5-dioxoimidazolidin-4-yl]butanoate (PubChem CID 20833913) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is ethyl 2-[1-(2-hydroxyethyl)-4-methyl-2,5-dioxoimidazolidin-4-yl]butanoate.

Molecular Properties

Compound Nameethyl 2-[1-(2-hydroxyethyl)-4-methyl-2,5-dioxoimidazolidin-4-yl]butanoate
PubChem CID20833913
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Nameethyl 2-[1-(2-hydroxyethyl)-4-methyl-2,5-dioxoimidazolidin-4-yl]butanoate
SMILESCCOC(=O)C(CC)C1(C)NC(=O)N(CCO)C1=O
InChIInChI=1S/C12H20N2O5/c1-4-8(9(16)19-5-2)12(3)10(17)14(6-7-15)11(18)13-12/h8,15H,4-7H2,1-3H3,(H,13,18)
InChIKeyLLRYNEFKGQVENC-UHFFFAOYSA-N
XLogP-0.12
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 2-[1-(2-hydroxyethyl)-4-methyl-2,5-dioxoimidazolidin-4-yl]butanoate with MolForge

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Related Compounds

1-Acetonyl-2,5-dioxo-alpha-ethyl-4-methyl-4-imidazolidineacetic acid ethyl ester
CID 20833905
1-Allyl-2,5-dioxo-alpha-ethyl-4-methyl-4-imidazolidineacetic acid ethyl ester
CID 20833906
alpha,1-Diethyl-2,5-dioxo-4-methyl-4-imidazolidineacetic acid ethyl ester
CID 20833911
1,4-Dimethyl-2,5-dioxo-alpha-ethyl-4-imidazolidineacetic acid ethyl ester
CID 20833912
2,5-Dioxo-alpha-ethyl-4-methyl-4-imidazolidineacetic acid ethyl ester
CID 20833914
2,5-Dioxo-alpha-ethyl-4-methyl-1-propyl-4-imidazolidineacetic acid ethyl ester
CID 20833915
2,5-Dioxo-alpha-isopropyl-4-methyl-4-imidazolidineacetic acid ethyl ester
CID 20833916
2,4-Dioxo-3-(2-hydroxyethyl)-1,3-diazaspiro(4.5)decane-6-carboxylic acid ethyl ester
CID 24837389
2,5-Dioxo-alpha-ethyl-4-methyl-1-(2-propynyl)-4-imidazolidineacetic acid ethyl ester
CID 24839035
2,5-Dioxo-alpha-ethyl-4-methyl-1,4-imidazolidinediacetic acid ethyl ester
CID 24839037
2-[4-Methyl-2,5-dioxo-1-(piperazin-1-ylmethyl)imidazolidin-4-yl]butanoic acid
CID 118355128
Ethyl 2-[2,5-dioxo-1-(2-oxopropyl)-4-propylimidazolidin-4-yl]acetate
CID 5744968

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(2-hydroxyethyl)-4-methyl-2,5-dioxoimidazolidin-4-yl]butanoate?
The IUPAC name of ethyl 2-[1-(2-hydroxyethyl)-4-methyl-2,5-dioxoimidazolidin-4-yl]butanoate (CID 20833913) is ethyl 2-[1-(2-hydroxyethyl)-4-methyl-2,5-dioxoimidazolidin-4-yl]butanoate.
What is the SMILES notation for ethyl 2-[1-(2-hydroxyethyl)-4-methyl-2,5-dioxoimidazolidin-4-yl]butanoate?
The canonical SMILES for ethyl 2-[1-(2-hydroxyethyl)-4-methyl-2,5-dioxoimidazolidin-4-yl]butanoate is CCOC(=O)C(CC)C1(C)NC(=O)N(CCO)C1=O.
What is the InChIKey of ethyl 2-[1-(2-hydroxyethyl)-4-methyl-2,5-dioxoimidazolidin-4-yl]butanoate?
The InChIKey is LLRYNEFKGQVENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5/c1-4-8(9(16)19-5-2)12(3)10(17)14(6-7-15)11(18)13-12/h8,15H,4-7H2,1-3H3,(H,13,18).
What are the key properties of ethyl 2-[1-(2-hydroxyethyl)-4-methyl-2,5-dioxoimidazolidin-4-yl]butanoate?
ethyl 2-[1-(2-hydroxyethyl)-4-methyl-2,5-dioxoimidazolidin-4-yl]butanoate has a molecular weight of 272.30 g/mol, XLogP of -0.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(2-hydroxyethyl)-4-methyl-2,5-dioxoimidazolidin-4-yl]butanoate is sourced from PubChem (CID 20833913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).