2-Oxo-4-phenylpyrrolidine-3-carboxylic acid - CAS 77519-55-2

Catalog:	BB035969
Product Name:	2-Oxo-4-phenylpyrrolidine-3-carboxylic acid
CAS:	77519-55-2
Synonyms:	2-oxo-4-phenylpyrrolidine-3-carboxylic acid

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Computed Properties

IUPAC Name:	2-oxo-4-phenylpyrrolidine-3-carboxylic acid
Description:	2-Oxo-4-phenylpyrrolidine-3-carboxylic acid (CAS# 77519-55-2) is a useful research chemical.
Molecular Weight:	205.21
Molecular Formula:	C11H11NO3
Canonical SMILES:	C1C(C(C(=O)N1)C(=O)O)C2=CC=CC=C2
InChI:	InChI=1S/C11H11NO3/c13-10-9(11(14)15)8(6-12-10)7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H,12,13)(H,14,15)
InChI Key:	UOQRZCNCICUPJO-UHFFFAOYSA-N
Boiling Point:	501.6 °C at 760 mmHg
Density:	1.301 g/cm³
MDL:	MFCD00034391
LogP:	0.92960

Publication Number	Title	Priority Date
US-2020406243-A1	Bifunctional chiral organocatalytic compound having excellent enantioselectivity, preparation method therefor, and method for producing non-natural gamma-amino acid from nitro compound by using same	20180228
AU-2015218642-A1	Compositions of pentosan polysulfate salts for oral administration and methods of use	20140224
CA-2949480-A1	Compositions of pentosan polysulfate salts for oral administration and methods of use	20140224
CN-106456662-A	Compositions of pentosan polysulfate salts for oral administration and methods of use	20140224
EP-3110427-A1	Compositions of pentosan polysulfate salts for oral administration and methods of use	20140224

PMID	Publication Date	Title	Journal
18768780	20081201	Identification and characterization of novel small-molecule protease-activated receptor 2 agonists	The Journal of pharmacology and experimental therapeutics

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Related Functional Groups

Pyrrolidines

[1096881-75-2]
1-Benzhydryl-3-pyrrolidinone
[5724-76-5]
3-(2,5-Dioxopyrrolidin-1-yl)propionic acid
[2006277-06-9]
1-(5-Bromopentyl)pyrrolidine Hydrobromide
[1497778-22-9]
Tert-butyl 3-hydroxy-2,2-dimethylpyrrolidine-1-carboxylate
[5747-92-2]
Ethyl 1-benzyl-pyrrolidine-3-carboxylate
[198959-37-4]
Methyl pyrrolidine-3-carboxylate hydrochloride

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	271
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	205.07389321
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	205.07389321
Rotatable Bond Count:	2
Topological Polar Surface Area:	66.4
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3