5-Amino-1H-pyrrole-2-carboxylic Acid - CAS 869116-45-0

Catalog:	BB038121
Product Name:	5-Amino-1H-pyrrole-2-carboxylic Acid
CAS:	869116-45-0
Synonyms:	5-amino-1H-pyrrole-2-carboxylic acid; 5-amino-1H-pyrrole-2-carboxylic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	5-amino-1H-pyrrole-2-carboxylic acid
Description:	5-Amino-1H-pyrrole-2-carboxylic Acid (CAS# 869116-45-0 ) is a useful research chemical.
Molecular Weight:	126.11
Molecular Formula:	C5H6N2O2
Canonical SMILES:	C1=C(NC(=C1)N)C(=O)O
InChI:	InChI=1S/C5H6N2O2/c6-4-2-1-3(7-4)5(8)9/h1-2,7H,6H2,(H,8,9)
InChI Key:	RXAHTXGBWNYBQI-UHFFFAOYSA-N
Boiling Point:	470.486 °C at 760 mmHg
Density:	1.527 g/cm³
LogP:	0.87630

Publication Number	Title	Priority Date
US-2021228723-A1	Methods and compounds for the treatment of genetic disease	20180522
US-2021283265-A1	Methods and compounds for the treatment of genetic disease	20180420
WO-2014164222-A1	Compounds for the treatment of neurological disorders	20130313
EP-2558577-A1	Bi-functional complexes and methods for making and using such complexes	20100416
WO-2011127933-A1	Bi-functional complexes and methods for making and using such complexes	20100416

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Complexity:	126
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	126.042927438
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	126.042927438
Rotatable Bond Count:	1
Topological Polar Surface Area:	79.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2