2-[[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-methylamino]propanoic acid

C13H21N3O5 — CID 119358988

IUPAC2-[[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-methylamino]propanoic acid
SMILESCCC1(CC)NC(=O)N(CC(=O)N(C)C(C)C(=O)O)C1=O
InChIInChI=1S/C13H21N3O5/c1-5-13(6-2)11(20)16(12(21)14-13)7-9(17)15(4)8(3)10(18)19/h8H,5-7H2,1-4H3,(H,14,21)(H,18,19)
InChIKeyUSNPBFPNOJXQMJ-UHFFFAOYSA-N
MW299.33 g/mol
LogP0.03
Rot. Bonds6

About 2-[[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-methylamino]propanoic acid

2-[[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-methylamino]propanoic acid (PubChem CID 119358988) has the molecular formula C13H21N3O5 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-[[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-methylamino]propanoic acid
PubChem CID119358988
Molecular FormulaC13H21N3O5
Molecular Weight299.33 g/mol
Exact Mass299.15
IUPAC Name2-[[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-methylamino]propanoic acid
SMILESCCC1(CC)NC(=O)N(CC(=O)N(C)C(C)C(=O)O)C1=O
InChIInChI=1S/C13H21N3O5/c1-5-13(6-2)11(20)16(12(21)14-13)7-9(17)15(4)8(3)10(18)19/h8H,5-7H2,1-4H3,(H,14,21)(H,18,19)
InChIKeyUSNPBFPNOJXQMJ-UHFFFAOYSA-N
XLogP0.03
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 50.03
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

2-[[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-methylamino]acetic acid
CID 119346548
2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N,N-bis(2-methylpropyl)acetamide
CID 84601319
2-[[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]-methylamino]propanoic acid
CID 119358201
2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-phenyl-N-propan-2-ylacetamide
CID 9437310
2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 46588357
2-[methyl-[2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]propanoic acid
CID 119358842
2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 46665930
2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 18775726
N-cyclopentyl-N-cyclopropyl-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 51077613
3-(3,3-dimethyl-2-oxobutyl)-5,5-diethylimidazolidine-2,4-dione
CID 18776959
2-[methyl-[2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]amino]propanoic acid
CID 119358190
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7691269

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-methylamino]propanoic acid?
The IUPAC name of 2-[[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-methylamino]propanoic acid (CID 119358988) is 2-[[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-methylamino]propanoic acid.
What is the SMILES notation for 2-[[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-methylamino]propanoic acid?
The canonical SMILES for 2-[[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-methylamino]propanoic acid is CCC1(CC)NC(=O)N(CC(=O)N(C)C(C)C(=O)O)C1=O.
What is the InChIKey of 2-[[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-methylamino]propanoic acid?
The InChIKey is USNPBFPNOJXQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O5/c1-5-13(6-2)11(20)16(12(21)14-13)7-9(17)15(4)8(3)10(18)19/h8H,5-7H2,1-4H3,(H,14,21)(H,18,19).
What are the key properties of 2-[[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-methylamino]propanoic acid?
2-[[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-methylamino]propanoic acid has a molecular weight of 299.33 g/mol, XLogP of 0.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-methylamino]propanoic acid is sourced from PubChem (CID 119358988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).