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

C13H19N3O5 — CID 119358201

IUPAC2-[[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)CN1C(=O)NC(C)(C2CC2)C1=O
InChIInChI=1S/C13H19N3O5/c1-7(10(18)19)15(3)9(17)6-16-11(20)13(2,8-4-5-8)14-12(16)21/h7-8H,4-6H2,1-3H3,(H,14,21)(H,18,19)
InChIKeyHYLUALLKDOCNGP-UHFFFAOYSA-N
MW297.31 g/mol
LogP-0.36
Rot. Bonds5

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

2-[[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]-methylamino]propanoic acid (PubChem CID 119358201) has the molecular formula C13H19N3O5 and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-[[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]-methylamino]propanoic acid
PubChem CID119358201
Molecular FormulaC13H19N3O5
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC Name2-[[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)CN1C(=O)NC(C)(C2CC2)C1=O
InChIInChI=1S/C13H19N3O5/c1-7(10(18)19)15(3)9(17)6-16-11(20)13(2,8-4-5-8)14-12(16)21/h7-8H,4-6H2,1-3H3,(H,14,21)(H,18,19)
InChIKeyHYLUALLKDOCNGP-UHFFFAOYSA-N
XLogP-0.36
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 5-0.36
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]propanoic acid
CID 119358988
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
N-benzyl-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-phenylacetamide
CID 78790776
N-benzyl-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(1-morpholin-4-ylpropan-2-yl)acetamide
CID 56500326
2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide
CID 51857399
(1-cyclopropylcyclopropyl) 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 102559296
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 16557391
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119530186
(3R)-1-[2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]pyrrolidine-3-carboxylic acid
CID 125134505
N-(2-amino-2-methylpropyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride
CID 119626308
N-(3-amino-2-methylpropyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride
CID 119998026
2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylacetamide
CID 8576314

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]-methylamino]propanoic acid?
The IUPAC name of 2-[[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]-methylamino]propanoic acid (CID 119358201) is 2-[[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]-methylamino]propanoic acid.
What is the SMILES notation for 2-[[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]-methylamino]propanoic acid?
The canonical SMILES for 2-[[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]-methylamino]propanoic acid is CC(C(=O)O)N(C)C(=O)CN1C(=O)NC(C)(C2CC2)C1=O.
What is the InChIKey of 2-[[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]-methylamino]propanoic acid?
The InChIKey is HYLUALLKDOCNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O5/c1-7(10(18)19)15(3)9(17)6-16-11(20)13(2,8-4-5-8)14-12(16)21/h7-8H,4-6H2,1-3H3,(H,14,21)(H,18,19).
What are the key properties of 2-[[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]-methylamino]propanoic acid?
2-[[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]-methylamino]propanoic acid has a molecular weight of 297.31 g/mol, XLogP of -0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]-methylamino]propanoic acid is sourced from PubChem (CID 119358201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).