3-(2-oxopyrrolidin-1-yl)propanoic acid - CAS 77191-38-9

Catalog:	BB035853
Product Name:	3-(2-oxopyrrolidin-1-yl)propanoic acid
CAS:	77191-38-9
Synonyms:	3-(2-oxopyrrolidin-1-yl)propanoic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3-(2-oxopyrrolidin-1-yl)propanoic acid
Description:	3-(2-Oxopyrrolidin-1-yl)propanoic Acid can be prepared to be used as RORy agonists to treat cancer.
Molecular Weight:	157.17
Molecular Formula:	C7H11NO3
Canonical SMILES:	C1CC(=O)N(C1)CCC(=O)O
InChI:	InChI=1S/C7H11NO3/c9-6-2-1-4-8(6)5-3-7(10)11/h1-5H2,(H,10,11)
InChI Key:	XOMYTIUVNSWEAI-UHFFFAOYSA-N
LogP:	0.02140

Publication Number	Title	Priority Date
WO-2017015660-A1	Prevention and treatment of aging and neurodegenerative diseases	20150723
EP-3201205-B1	Boronic acid derivatives	20141001
US-2018179231-A1	Boronic acid derivatives	20141001
EP-2997366-B1	Biomarkers related to kidney function and methods using the same	20130514
EP-3410115-A1	Tryptophan as a biomarkers for kidney function and methods using the same	20130514

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Related Functional Groups

Carbonyl Compounds

[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[69616-74-6]
2',4-Dihydroxy-3',4',6'-trimethoxychalcone
[606-18-8]
2-Amino-3-nitrobenzoic Acid

Pyrrolidines

[1427004-19-0]
DBCO-PEG4-NHS ester
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[1096881-75-2]
1-Benzhydryl-3-pyrrolidinone
[1353995-46-6]
(R)-1-((2,4-Dichlorophenyl)sulfonyl)pyrrolidin-3-ol
[2006277-06-9]
1-(5-Bromopentyl)pyrrolidine Hydrobromide
[1497778-22-9]
Tert-butyl 3-hydroxy-2,2-dimethylpyrrolidine-1-carboxylate

GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	179
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	157.07389321
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	157.07389321
Rotatable Bond Count:	3
Topological Polar Surface Area:	57.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.7