3-Amino-3-oxopropanoic Acid - CAS 2345-56-4

Catalog:	BB018064
Product Name:	3-Amino-3-oxopropanoic Acid
CAS:	2345-56-4
Synonyms:	3-amino-3-oxopropanoic acid; 3-amino-3-oxopropanoic acid

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Computed Properties

IUPAC Name:	3-amino-3-oxopropanoic acid
Description:	3-Amino-3-oxopropanoic Acid (CAS# 2345-56-4) is a useful research chemical.
Molecular Weight:	103.08
Molecular Formula:	C3H5NO3
Canonical SMILES:	C(C(=O)N)C(=O)O
InChI:	InChI=1S/C3H5NO3/c4-2(5)1-3(6)7/h1H2,(H2,4,5)(H,6,7)
InChI Key:	CGJMROBVSBIBKP-UHFFFAOYSA-N
Boiling Point:	424.4 °C at 760 mmHg
Density:	1.402 g/cm³
Appearance:	Solid
MDL:	MFCD00154605
LogP:	-0.35330

Publication Number	Title	Priority Date
CN-113287740-A	Preparation method and application of pleurotus eryngii sauce	20210618
CN-111887403-A	Preparation method of minced fillet gel product and application of yeast extract in preparation of minced fillet gel product	20200805
WO-2021202317-A2	Novel methods of using nitric oxide donor compounds for treatment of covid-19 and other infectious diseases	20200328
JP-2021154560-A	Thermal discoloration writing tool	20200326
JP-2021146712-A	Ballpoint pen refill group arranged on the same type of shaft tube	20200323

PMID	Publication Date	Title	Journal
22542282	20120601	Discovery of novel indane derivatives as liver-selective thyroid hormone receptor β (TRβ) agonists for the treatment of dyslipidemia	Bioorganic & medicinal chemistry
21530278	20110515	Design, synthesis and inhibition activity of a novel cyclic enediyne amino acid conjugates against MPtpA	Bioorganic & medicinal chemistry
19932622	20100101	Substituted aryl malonamates as new serine beta-lactamase substrates: structure-activity studies	Bioorganic & medicinal chemistry
19322440	20090221	The highly enantioselective phase-transfer catalytic mono-alkylation of malonamic esters	Chemical communications (Cambridge, England)
17249424	20070101	The LeATL6-associated ubiquitin/proteasome system may contribute to fungal elicitor-activated defense response via the jasmonic acid-dependent signaling pathway in tomato	Molecular plant-microbe interactions : MPMI

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GHS Hazard Statement:	H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P264, P280, P305+P351+P338, and P337+P313
Signal Word:	Warning

Complexity:	98.4
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	103.026943022
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	103.026943022
Rotatable Bond Count:	2
Topological Polar Surface Area:	80.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-1.5