3-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]butanoic acid

C12H19N3O5 — CID 43360769

IUPAC3-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)CCCN1C(=O)CN(C)C1=O
InChIInChI=1S/C12H19N3O5/c1-8(6-11(18)19)13-9(16)4-3-5-15-10(17)7-14(2)12(15)20/h8H,3-7H2,1-2H3,(H,13,16)(H,18,19)
InChIKeyGCOUAOCJHZIACW-UHFFFAOYSA-N
MW285.30 g/mol
LogP-0.36
Rot. Bonds7

About 3-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]butanoic acid

3-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]butanoic acid (PubChem CID 43360769) has the molecular formula C12H19N3O5 and a molecular weight of 285.30 g/mol. Its IUPAC name is 3-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]butanoic acid.

Molecular Properties

Compound Name3-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]butanoic acid
PubChem CID43360769
Molecular FormulaC12H19N3O5
Molecular Weight285.30 g/mol
Exact Mass285.13
IUPAC Name3-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)CCCN1C(=O)CN(C)C1=O
InChIInChI=1S/C12H19N3O5/c1-8(6-11(18)19)13-9(16)4-3-5-15-10(17)7-14(2)12(15)20/h8H,3-7H2,1-2H3,(H,13,16)(H,18,19)
InChIKeyGCOUAOCJHZIACW-UHFFFAOYSA-N
XLogP-0.36
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
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

(2R)-2-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]-2-phenylacetic acid
CID 119367892
N-(1-hydroxypentan-3-yl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 115735166
N-(3-hydroxy-2-methylpropyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 65032246
N-(1,2-diphenylethyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 75855427
N-cyano-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 79194682
N-(2-amino-2-oxoethoxy)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 112550669
N-[1-(4-tert-butylphenyl)-2-methylpropyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 78814409
4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(2-methylpropan-2-yl)oxy]butanamide
CID 82725201
4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2,2,2-trifluoroethoxy)butanamide
CID 81339845
1-methyl-3-(4-oxohexyl)imidazolidine-2,4-dione
CID 106801687
N-(2,2-difluoro-3-hydroxypropyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 104857752
N-[4-[ethyl(propan-2-yl)amino]phenyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 78807951

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]butanoic acid?
The IUPAC name of 3-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]butanoic acid (CID 43360769) is 3-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]butanoic acid.
What is the SMILES notation for 3-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]butanoic acid?
The canonical SMILES for 3-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]butanoic acid is CC(CC(=O)O)NC(=O)CCCN1C(=O)CN(C)C1=O.
What is the InChIKey of 3-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]butanoic acid?
The InChIKey is GCOUAOCJHZIACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O5/c1-8(6-11(18)19)13-9(16)4-3-5-15-10(17)7-14(2)12(15)20/h8H,3-7H2,1-2H3,(H,13,16)(H,18,19).
What are the key properties of 3-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]butanoic acid?
3-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]butanoic acid has a molecular weight of 285.30 g/mol, XLogP of -0.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]butanoic acid is sourced from PubChem (CID 43360769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).