4-(5-methyl-2-oxo-1,3-dihydroimidazol-4-yl)butanoic acid

C8H12N2O3 — CID 82406806

IUPAC4-(5-methyl-2-oxo-1,3-dihydroimidazol-4-yl)butanoic acid
SMILESCc1[nH]c(=O)[nH]c1CCCC(=O)O
InChIInChI=1S/C8H12N2O3/c1-5-6(10-8(13)9-5)3-2-4-7(11)12/h2-4H2,1H3,(H,11,12)(H2,9,10,13)
InChIKeyZOHIWGQVXPUFIK-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.42
Rot. Bonds4

About 4-(5-methyl-2-oxo-1,3-dihydroimidazol-4-yl)butanoic acid

4-(5-methyl-2-oxo-1,3-dihydroimidazol-4-yl)butanoic acid (PubChem CID 82406806) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 4-(5-methyl-2-oxo-1,3-dihydroimidazol-4-yl)butanoic acid.

Molecular Properties

Compound Name4-(5-methyl-2-oxo-1,3-dihydroimidazol-4-yl)butanoic acid
PubChem CID82406806
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name4-(5-methyl-2-oxo-1,3-dihydroimidazol-4-yl)butanoic acid
SMILESCc1[nH]c(=O)[nH]c1CCCC(=O)O
InChIInChI=1S/C8H12N2O3/c1-5-6(10-8(13)9-5)3-2-4-7(11)12/h2-4H2,1H3,(H,11,12)(H2,9,10,13)
InChIKeyZOHIWGQVXPUFIK-UHFFFAOYSA-N
XLogP0.42
TPSA85.95 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-butyl-5-methyl-1,3-dihydroimidazol-2-one
CID 13478904
4-(3,4-dimethyl-1H-indol-2-yl)butanoic acid
CID 175063966
4-(5-formyl-2-iodo-4-methyl-1H-pyrrol-3-yl)butanoic acid
CID 11461379
4-(5-methyl-1H-1,2,4-triazol-3-yl)butanoic acid
CID 61346351
4-(5-methyl-1H-imidazol-4-yl)butanoic acid
CID 565590
2-[5-(2-methylpropyl)-2-oxo-1,3-dihydroimidazol-4-yl]acetic acid
CID 84733610
hexanedioic acid;2,3,5,6-tetramethylterephthalic acid
CID 175926564
4-(3,5-dimethylthiophen-2-yl)butanoic acid
CID 81157302
chloromethane;pentanedioic acid
CID 159659659
methanol;tridecanedioic acid
CID 175511493
hexanedioic acid;propan-2-one
CID 158520683
methyl 5-(3-methoxypropyl)-2-oxo-1,3-dihydroimidazole-4-carboxylate
CID 117225302

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-2-oxo-1,3-dihydroimidazol-4-yl)butanoic acid?
The IUPAC name of 4-(5-methyl-2-oxo-1,3-dihydroimidazol-4-yl)butanoic acid (CID 82406806) is 4-(5-methyl-2-oxo-1,3-dihydroimidazol-4-yl)butanoic acid.
What is the SMILES notation for 4-(5-methyl-2-oxo-1,3-dihydroimidazol-4-yl)butanoic acid?
The canonical SMILES for 4-(5-methyl-2-oxo-1,3-dihydroimidazol-4-yl)butanoic acid is Cc1[nH]c(=O)[nH]c1CCCC(=O)O.
What is the InChIKey of 4-(5-methyl-2-oxo-1,3-dihydroimidazol-4-yl)butanoic acid?
The InChIKey is ZOHIWGQVXPUFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-5-6(10-8(13)9-5)3-2-4-7(11)12/h2-4H2,1H3,(H,11,12)(H2,9,10,13).
What are the key properties of 4-(5-methyl-2-oxo-1,3-dihydroimidazol-4-yl)butanoic acid?
4-(5-methyl-2-oxo-1,3-dihydroimidazol-4-yl)butanoic acid has a molecular weight of 184.19 g/mol, XLogP of 0.42, 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-oxo-1,3-dihydroimidazol-4-yl)butanoic acid is sourced from PubChem (CID 82406806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).