4-(5-methyl-2-oxoimidazolidin-4-yl)butanoic acid

C8H14N2O3 — CID 57357496

IUPAC4-(5-methyl-2-oxoimidazolidin-4-yl)butanoic acid
SMILESCC1NC(=O)NC1CCCC(=O)O
InChIInChI=1S/C8H14N2O3/c1-5-6(10-8(13)9-5)3-2-4-7(11)12/h5-6H,2-4H2,1H3,(H,11,12)(H2,9,10,13)
InChIKeyPBRLRKDRWNHYMD-UHFFFAOYSA-N
MW186.21 g/mol
LogP0.31
Rot. Bonds4

About 4-(5-methyl-2-oxoimidazolidin-4-yl)butanoic acid

4-(5-methyl-2-oxoimidazolidin-4-yl)butanoic acid (PubChem CID 57357496) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 4-(5-methyl-2-oxoimidazolidin-4-yl)butanoic acid.

Molecular Properties

Compound Name4-(5-methyl-2-oxoimidazolidin-4-yl)butanoic acid
PubChem CID57357496
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name4-(5-methyl-2-oxoimidazolidin-4-yl)butanoic acid
SMILESCC1NC(=O)NC1CCCC(=O)O
InChIInChI=1S/C8H14N2O3/c1-5-6(10-8(13)9-5)3-2-4-7(11)12/h5-6H,2-4H2,1H3,(H,11,12)(H2,9,10,13)
InChIKeyPBRLRKDRWNHYMD-UHFFFAOYSA-N
XLogP0.31
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 4-(5-methyl-2-oxoimidazolidin-4-yl)butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-2-oxoimidazolidin-4-yl)butanoic acid?
The IUPAC name of 4-(5-methyl-2-oxoimidazolidin-4-yl)butanoic acid (CID 57357496) is 4-(5-methyl-2-oxoimidazolidin-4-yl)butanoic acid.
What is the SMILES notation for 4-(5-methyl-2-oxoimidazolidin-4-yl)butanoic acid?
The canonical SMILES for 4-(5-methyl-2-oxoimidazolidin-4-yl)butanoic acid is CC1NC(=O)NC1CCCC(=O)O.
What is the InChIKey of 4-(5-methyl-2-oxoimidazolidin-4-yl)butanoic acid?
The InChIKey is PBRLRKDRWNHYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-5-6(10-8(13)9-5)3-2-4-7(11)12/h5-6H,2-4H2,1H3,(H,11,12)(H2,9,10,13).
What are the key properties of 4-(5-methyl-2-oxoimidazolidin-4-yl)butanoic acid?
4-(5-methyl-2-oxoimidazolidin-4-yl)butanoic acid has a molecular weight of 186.21 g/mol, XLogP of 0.31, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-2-oxoimidazolidin-4-yl)butanoic acid is sourced from PubChem (CID 57357496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).