2-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-methylamino]propanoic acid;hydrochloride

C11H20ClN3O4 — CID 119912786

IUPAC2-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-methylamino]propanoic acid;hydrochloride
SMILESCC(C(=O)O)N(C)CCN1C(=O)NC(C)(C)C1=O.Cl
InChIInChI=1S/C11H19N3O4.ClH/c1-7(8(15)16)13(4)5-6-14-9(17)11(2,3)12-10(14)18;/h7H,5-6H2,1-4H3,(H,12,18)(H,15,16);1H
InChIKeyCVOJJJLGUAGSGT-UHFFFAOYSA-N
MW293.75 g/mol
LogP0.14
Rot. Bonds5

About 2-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-methylamino]propanoic acid;hydrochloride

2-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-methylamino]propanoic acid;hydrochloride (PubChem CID 119912786) has the molecular formula C11H20ClN3O4 and a molecular weight of 293.75 g/mol. Its IUPAC name is 2-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-methylamino]propanoic acid;hydrochloride.

Molecular Properties

Compound Name2-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-methylamino]propanoic acid;hydrochloride
PubChem CID119912786
Molecular FormulaC11H20ClN3O4
Molecular Weight293.75 g/mol
Exact Mass293.11
IUPAC Name2-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-methylamino]propanoic acid;hydrochloride
SMILESCC(C(=O)O)N(C)CCN1C(=O)NC(C)(C)C1=O.Cl
InChIInChI=1S/C11H19N3O4.ClH/c1-7(8(15)16)13(4)5-6-14-9(17)11(2,3)12-10(14)18;/h7H,5-6H2,1-4H3,(H,12,18)(H,15,16);1H
InChIKeyCVOJJJLGUAGSGT-UHFFFAOYSA-N
XLogP0.14
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[benzhydryl(methyl)amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 35429502
2-[butan-2-yl-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]amino]acetic acid
CID 60834396
3-[2-[[(1S)-1-(2-methoxyphenyl)ethyl]-methylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 94104059
2-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-propylamino]acetic acid
CID 61007896
3-[2-[(2-amino-1-cyclopropylethyl)-methylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 116652528
3-[2-[(2-hydroxy-2-methylpropyl)-methylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 113236564
(2S)-2-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoylamino]propanoic acid
CID 93263187
5-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pentanoic acid
CID 28971868
2-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoyl-methylamino]acetic acid
CID 43171118
ethyl 2-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-methylamino]acetate
CID 62012001
propan-2-yl 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate
CID 112722968
2-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-propan-2-ylamino]acetamide
CID 47280249

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-methylamino]propanoic acid;hydrochloride?
The IUPAC name of 2-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-methylamino]propanoic acid;hydrochloride (CID 119912786) is 2-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-methylamino]propanoic acid;hydrochloride.
What is the SMILES notation for 2-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-methylamino]propanoic acid;hydrochloride?
The canonical SMILES for 2-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-methylamino]propanoic acid;hydrochloride is CC(C(=O)O)N(C)CCN1C(=O)NC(C)(C)C1=O.Cl.
What is the InChIKey of 2-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-methylamino]propanoic acid;hydrochloride?
The InChIKey is CVOJJJLGUAGSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4.ClH/c1-7(8(15)16)13(4)5-6-14-9(17)11(2,3)12-10(14)18;/h7H,5-6H2,1-4H3,(H,12,18)(H,15,16);1H.
What are the key properties of 2-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-methylamino]propanoic acid;hydrochloride?
2-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-methylamino]propanoic acid;hydrochloride has a molecular weight of 293.75 g/mol, XLogP of 0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-methylamino]propanoic acid;hydrochloride is sourced from PubChem (CID 119912786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).