4-(2-imino-3-methyl-5-oxoimidazolidin-1-yl)butanoic acid;hydrobromide

C8H14BrN3O3 — CID 126796938

IUPAC4-(2-imino-3-methyl-5-oxoimidazolidin-1-yl)butanoic acid;hydrobromide
SMILESBr.[H]/N=C1\N(C)CC(=O)N1CCCC(=O)O
InChIInChI=1S/C8H13N3O3.BrH/c1-10-5-6(12)11(8(10)9)4-2-3-7(13)14;/h9H,2-5H2,1H3,(H,13,14);1H/b9-8+;
InChIKeyCXJOSGZYPHBXBL-HRNDJLQDSA-N
MW280.12 g/mol
LogP0.14
Rot. Bonds4

About 4-(2-imino-3-methyl-5-oxoimidazolidin-1-yl)butanoic acid;hydrobromide

4-(2-imino-3-methyl-5-oxoimidazolidin-1-yl)butanoic acid;hydrobromide (PubChem CID 126796938) has the molecular formula C8H14BrN3O3 and a molecular weight of 280.12 g/mol. Its IUPAC name is 4-(2-imino-3-methyl-5-oxoimidazolidin-1-yl)butanoic acid;hydrobromide.

Molecular Properties

Compound Name4-(2-imino-3-methyl-5-oxoimidazolidin-1-yl)butanoic acid;hydrobromide
PubChem CID126796938
Molecular FormulaC8H14BrN3O3
Molecular Weight280.12 g/mol
Exact Mass279.02
IUPAC Name4-(2-imino-3-methyl-5-oxoimidazolidin-1-yl)butanoic acid;hydrobromide
SMILESBr.[H]/N=C1\N(C)CC(=O)N1CCCC(=O)O
InChIInChI=1S/C8H13N3O3.BrH/c1-10-5-6(12)11(8(10)9)4-2-3-7(13)14;/h9H,2-5H2,1H3,(H,13,14);1H/b9-8+;
InChIKeyCXJOSGZYPHBXBL-HRNDJLQDSA-N
XLogP0.14
TPSA84.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.12
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-(6-bromo-4-methyl-2-oxo-3H-quinoxalin-1-yl)butanoic acid
CID 117031007
4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoic acid;4-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]benzoic acid
CID 70477882
1-methyl-3-(4-oxohexyl)imidazolidine-2,4-dione
CID 106801687
3-(2-imino-3-methylimidazolidin-1-yl)propanoic acid
CID 123575070
3-[[4-(1-hydroxy-2-sulfanylethyl)phenyl]methyl]-2-imino-1-methylimidazolidin-4-one
CID 123466898
3-[(4-tert-butylphenyl)methyl]-2-imino-1-methylimidazolidin-4-one
CID 154768733
3-(4-methyl-2,5-dioxo-3H-1,4-benzodiazepin-1-yl)propanoic acid
CID 10849046
4-[3-(2-carboxyethyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]butanoic acid
CID 149034564
3-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]butanoic acid
CID 43360769
5-(4-methyl-3-oxo-1,4-diazepan-1-yl)pentanoic acid
CID 102889464
4-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]-propan-2-ylamino]butanoic acid
CID 60826752
1-butyl-4-methyl-3H-quinoxalin-2-one
CID 117006618

Frequently Asked Questions

What is the IUPAC name of 4-(2-imino-3-methyl-5-oxoimidazolidin-1-yl)butanoic acid;hydrobromide?
The IUPAC name of 4-(2-imino-3-methyl-5-oxoimidazolidin-1-yl)butanoic acid;hydrobromide (CID 126796938) is 4-(2-imino-3-methyl-5-oxoimidazolidin-1-yl)butanoic acid;hydrobromide.
What is the SMILES notation for 4-(2-imino-3-methyl-5-oxoimidazolidin-1-yl)butanoic acid;hydrobromide?
The canonical SMILES for 4-(2-imino-3-methyl-5-oxoimidazolidin-1-yl)butanoic acid;hydrobromide is Br.[H]/N=C1\N(C)CC(=O)N1CCCC(=O)O.
What is the InChIKey of 4-(2-imino-3-methyl-5-oxoimidazolidin-1-yl)butanoic acid;hydrobromide?
The InChIKey is CXJOSGZYPHBXBL-HRNDJLQDSA-N. The full InChI is InChI=1S/C8H13N3O3.BrH/c1-10-5-6(12)11(8(10)9)4-2-3-7(13)14;/h9H,2-5H2,1H3,(H,13,14);1H/b9-8+;.
What are the key properties of 4-(2-imino-3-methyl-5-oxoimidazolidin-1-yl)butanoic acid;hydrobromide?
4-(2-imino-3-methyl-5-oxoimidazolidin-1-yl)butanoic acid;hydrobromide has a molecular weight of 280.12 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-imino-3-methyl-5-oxoimidazolidin-1-yl)butanoic acid;hydrobromide is sourced from PubChem (CID 126796938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).