ethyl 2-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-methylamino]acetate

C12H21N3O4 — CID 62012001

IUPACethyl 2-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-methylamino]acetate
SMILESCCOC(=O)CN(C)CCN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C12H21N3O4/c1-5-19-9(16)8-14(4)6-7-15-10(17)12(2,3)13-11(15)18/h5-8H2,1-4H3,(H,13,18)
InChIKeyDOKBLLQWFGMENV-UHFFFAOYSA-N
MW271.32 g/mol
LogP-0.19
Rot. Bonds6

About ethyl 2-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-methylamino]acetate

ethyl 2-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-methylamino]acetate (PubChem CID 62012001) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is ethyl 2-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-methylamino]acetate
PubChem CID62012001
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Nameethyl 2-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-methylamino]acetate
SMILESCCOC(=O)CN(C)CCN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C12H21N3O4/c1-5-19-9(16)8-14(4)6-7-15-10(17)12(2,3)13-11(15)18/h5-8H2,1-4H3,(H,13,18)
InChIKeyDOKBLLQWFGMENV-UHFFFAOYSA-N
XLogP-0.19
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[(2-hydroxy-2-methylpropyl)-methylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 113236564
2-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-propylamino]acetic acid
CID 61007896
2-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoyl-methylamino]acetic acid
CID 43171118
2-[butan-2-yl-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]amino]acetic acid
CID 60834396
propan-2-yl 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate
CID 112722968
2-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-methylamino]propanoic acid;hydrochloride
CID 119912786
ethyl 4-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl]piperazine-1-carboxylate
CID 47029520
5,5-dimethyl-3-[3-[methyl-[(4-methylphenyl)methyl]amino]propyl]imidazolidine-2,4-dione
CID 87013212
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate
CID 46608614
2-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-propan-2-ylamino]acetamide
CID 47280249
ethyl 2-[2-chloroethyl(methyl)amino]acetate
CID 24846020
ethyl 2-[2-aminoethyl(methyl)amino]acetate;hydrochloride
CID 154726143

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-methylamino]acetate?
The IUPAC name of ethyl 2-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-methylamino]acetate (CID 62012001) is ethyl 2-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-methylamino]acetate.
What is the SMILES notation for ethyl 2-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-methylamino]acetate?
The canonical SMILES for ethyl 2-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-methylamino]acetate is CCOC(=O)CN(C)CCN1C(=O)NC(C)(C)C1=O.
What is the InChIKey of ethyl 2-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-methylamino]acetate?
The InChIKey is DOKBLLQWFGMENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-5-19-9(16)8-14(4)6-7-15-10(17)12(2,3)13-11(15)18/h5-8H2,1-4H3,(H,13,18).
What are the key properties of ethyl 2-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-methylamino]acetate?
ethyl 2-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-methylamino]acetate has a molecular weight of 271.32 g/mol, XLogP of -0.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-methylamino]acetate is sourced from PubChem (CID 62012001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).