4-amino-1H-imidazole-5-carboxylic acid - CAS 4919-04-4

Catalog:	BB026652
Product Name:	4-amino-1H-imidazole-5-carboxylic acid
CAS:	4919-04-4
Synonyms:	4-amino-1H-imidazole-5-carboxylic acid; 4-amino-1H-imidazole-5-carboxylic acid

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Computed Properties

IUPAC Name:	4-amino-1H-imidazole-5-carboxylic acid
Description:	4-amino-1H-imidazole-5-carboxylic acid (CAS# 4919-04-4 ) is a useful research chemical.
Molecular Weight:	127.103
Molecular Formula:	C4H5N3O2
Canonical SMILES:	C1=NC(=C(N1)C(=O)O)N
InChI:	InChI=1S/C4H5N3O2/c5-3-2(4(8)9)6-1-7-3/h1H,5H2,(H,6,7)(H,8,9)
InChI Key:	PWCLNQLPYQVWAB-UHFFFAOYSA-N
LogP:	0.27130

Publication Number	Title	Priority Date
CN-113186180-A	4-ureido-5-carboxyl imidazole amide hydrolase and application thereof	20200114
WO-2021143724-A1	4-ureido-5-carboxyl-imidazole-amide hydrolase and use thereof	20200114
CN-110914263-A	Substituted bicyclic heterocyclic compounds as NADPH oxidase inhibitors	20170504
TW-201529782-A	Curable composition	20130924
TW-I602892-B	Curable composition	20130924

PMID	Publication Date	Title	Journal
22168471	20111214	Purine biosynthesis in archaea: variations on a theme	Biology direct
21956117	20111125	Structural analyses of a purine biosynthetic enzyme from Mycobacterium tuberculosis reveal a novel bound nucleotide	The Journal of biological chemistry
21795812	20110801	Structural and biochemical characterization of N5-carboxyaminoimidazole ribonucleotide synthetase and N5-carboxyaminoimidazole ribonucleotide mutase from Staphylococcus aureus	Acta crystallographica. Section D, Biological crystallography
19095456	20090115	Interrogating the mechanism of a tight binding inhibitor of AIR carboxylase	Bioorganic & medicinal chemistry
18282099	20080208	Nucleotide biosynthesis is critical for growth of bacteria in human blood	PLoS pathogens

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Complexity:	127
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	127.038176411
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	127.038176411
Rotatable Bond Count:	1
Topological Polar Surface Area:	92
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1