4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid

C8H11N3O4 — CID 28789533

IUPAC4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid
SMILESO=C(O)CCCNC(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C8H11N3O4/c12-6(13)2-1-3-9-7(14)5-4-10-8(15)11-5/h4H,1-3H2,(H,9,14)(H,12,13)(H2,10,11,15)
InChIKeyVPLJOCJLPDTTFA-UHFFFAOYSA-N
MW213.19 g/mol
LogP-0.70
Rot. Bonds5

About 4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid

4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid (PubChem CID 28789533) has the molecular formula C8H11N3O4 and a molecular weight of 213.19 g/mol. Its IUPAC name is 4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid
PubChem CID28789533
Molecular FormulaC8H11N3O4
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Name4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid
SMILESO=C(O)CCCNC(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C8H11N3O4/c12-6(13)2-1-3-9-7(14)5-4-10-8(15)11-5/h4H,1-3H2,(H,9,14)(H,12,13)(H2,10,11,15)
InChIKeyVPLJOCJLPDTTFA-UHFFFAOYSA-N
XLogP-0.70
TPSA115.05 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 5-0.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(2,6-Dioxo-1,3-dihydropyrimidin-4-yl)carbonylamino]butanoic acid
CID 1761612
4-{[(2,6-Dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)carbonyl]amino}butanoate
CID 1761611
sodium 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]butanoic acid
CID 126478514
3-[(2-Oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoic acid
CID 28789495
3-[(2-Oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid
CID 43361027
(2R)-2-methyl-4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid
CID 70215420
4-((2,4-Dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)amino)-4-oxobutanoic acid
CID 927495
6-[(2-Oxo-1,3-dihydroimidazole-4-carbonyl)amino]hexanoic acid
CID 28788693
(2R)-3-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid
CID 28789341
(2S)-3-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid
CID 28789343
1-(2-Oxo-1,3-dihydroimidazole-4-carbonyl)piperidine-4-carboxylic acid
CID 28789383
(2R)-4-amino-4-oxo-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid
CID 28790333

Frequently Asked Questions

What is the IUPAC name of 4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid?
The IUPAC name of 4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid (CID 28789533) is 4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid is O=C(O)CCCNC(=O)c1c[nH]c(=O)[nH]1.
What is the InChIKey of 4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid?
The InChIKey is VPLJOCJLPDTTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O4/c12-6(13)2-1-3-9-7(14)5-4-10-8(15)11-5/h4H,1-3H2,(H,9,14)(H,12,13)(H2,10,11,15).
What are the key properties of 4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid?
4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid has a molecular weight of 213.19 g/mol, XLogP of -0.70, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid is sourced from PubChem (CID 28789533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).