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

C13H21N3O5 — CID 60826752

IUPAC4-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]-propan-2-ylamino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C(=O)CN1C(=O)CN(C)C1=O
InChIInChI=1S/C13H21N3O5/c1-9(2)15(6-4-5-12(19)20)11(18)8-16-10(17)7-14(3)13(16)21/h9H,4-8H2,1-3H3,(H,19,20)
InChIKeyCYXGCJCOKBXNOV-UHFFFAOYSA-N
MW299.33 g/mol
LogP-0.02
Rot. Bonds7

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

4-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]-propan-2-ylamino]butanoic acid (PubChem CID 60826752) has the molecular formula C13H21N3O5 and a molecular weight of 299.33 g/mol. Its IUPAC name is 4-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]-propan-2-ylamino]butanoic acid.

Molecular Properties

Compound Name4-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]-propan-2-ylamino]butanoic acid
PubChem CID60826752
Molecular FormulaC13H21N3O5
Molecular Weight299.33 g/mol
Exact Mass299.15
IUPAC Name4-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]-propan-2-ylamino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C(=O)CN1C(=O)CN(C)C1=O
InChIInChI=1S/C13H21N3O5/c1-9(2)15(6-4-5-12(19)20)11(18)8-16-10(17)7-14(3)13(16)21/h9H,4-8H2,1-3H3,(H,19,20)
InChIKeyCYXGCJCOKBXNOV-UHFFFAOYSA-N
XLogP-0.02
TPSA98.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]-propan-2-ylamino]butanoic acid?
The IUPAC name of 4-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]-propan-2-ylamino]butanoic acid (CID 60826752) is 4-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]-propan-2-ylamino]butanoic acid.
What is the SMILES notation for 4-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]-propan-2-ylamino]butanoic acid?
The canonical SMILES for 4-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]-propan-2-ylamino]butanoic acid is CC(C)N(CCCC(=O)O)C(=O)CN1C(=O)CN(C)C1=O.
What is the InChIKey of 4-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]-propan-2-ylamino]butanoic acid?
The InChIKey is CYXGCJCOKBXNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O5/c1-9(2)15(6-4-5-12(19)20)11(18)8-16-10(17)7-14(3)13(16)21/h9H,4-8H2,1-3H3,(H,19,20).
What are the key properties of 4-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]-propan-2-ylamino]butanoic acid?
4-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]-propan-2-ylamino]butanoic acid has a molecular weight of 299.33 g/mol, XLogP of -0.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]-propan-2-ylamino]butanoic acid is sourced from PubChem (CID 60826752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).