3-hydroxy-4-(2-methyl-5-oxo-2-propan-2-ylimidazolidin-1-yl)butanoic acid

C11H20N2O4 — CID 70392499

IUPAC3-hydroxy-4-(2-methyl-5-oxo-2-propan-2-ylimidazolidin-1-yl)butanoic acid
SMILESCC(C)C1(C)NCC(=O)N1CC(O)CC(=O)O
InChIInChI=1S/C11H20N2O4/c1-7(2)11(3)12-5-9(15)13(11)6-8(14)4-10(16)17/h7-8,12,14H,4-6H2,1-3H3,(H,16,17)
InChIKeyULCPKBHYFKXDMU-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.37
Rot. Bonds5

About 3-hydroxy-4-(2-methyl-5-oxo-2-propan-2-ylimidazolidin-1-yl)butanoic acid

3-hydroxy-4-(2-methyl-5-oxo-2-propan-2-ylimidazolidin-1-yl)butanoic acid (PubChem CID 70392499) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-hydroxy-4-(2-methyl-5-oxo-2-propan-2-ylimidazolidin-1-yl)butanoic acid.

Molecular Properties

Compound Name3-hydroxy-4-(2-methyl-5-oxo-2-propan-2-ylimidazolidin-1-yl)butanoic acid
PubChem CID70392499
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name3-hydroxy-4-(2-methyl-5-oxo-2-propan-2-ylimidazolidin-1-yl)butanoic acid
SMILESCC(C)C1(C)NCC(=O)N1CC(O)CC(=O)O
InChIInChI=1S/C11H20N2O4/c1-7(2)11(3)12-5-9(15)13(11)6-8(14)4-10(16)17/h7-8,12,14H,4-6H2,1-3H3,(H,16,17)
InChIKeyULCPKBHYFKXDMU-UHFFFAOYSA-N
XLogP-0.37
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-(2-methyl-5-oxo-2-propan-2-ylimidazolidin-1-yl)butanoic acid?
The IUPAC name of 3-hydroxy-4-(2-methyl-5-oxo-2-propan-2-ylimidazolidin-1-yl)butanoic acid (CID 70392499) is 3-hydroxy-4-(2-methyl-5-oxo-2-propan-2-ylimidazolidin-1-yl)butanoic acid.
What is the SMILES notation for 3-hydroxy-4-(2-methyl-5-oxo-2-propan-2-ylimidazolidin-1-yl)butanoic acid?
The canonical SMILES for 3-hydroxy-4-(2-methyl-5-oxo-2-propan-2-ylimidazolidin-1-yl)butanoic acid is CC(C)C1(C)NCC(=O)N1CC(O)CC(=O)O.
What is the InChIKey of 3-hydroxy-4-(2-methyl-5-oxo-2-propan-2-ylimidazolidin-1-yl)butanoic acid?
The InChIKey is ULCPKBHYFKXDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-7(2)11(3)12-5-9(15)13(11)6-8(14)4-10(16)17/h7-8,12,14H,4-6H2,1-3H3,(H,16,17).
What are the key properties of 3-hydroxy-4-(2-methyl-5-oxo-2-propan-2-ylimidazolidin-1-yl)butanoic acid?
3-hydroxy-4-(2-methyl-5-oxo-2-propan-2-ylimidazolidin-1-yl)butanoic acid has a molecular weight of 244.29 g/mol, XLogP of -0.37, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-(2-methyl-5-oxo-2-propan-2-ylimidazolidin-1-yl)butanoic acid is sourced from PubChem (CID 70392499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).