1-Phenyl-2-oxo-3-pyrrolidinecarboxylic acid - CAS 56137-52-1

Catalog:	BB029271
Product Name:	1-Phenyl-2-oxo-3-pyrrolidinecarboxylic acid
CAS:	56137-52-1
Synonyms:	2-oxo-1-phenylpyrrolidine-3-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	2-oxo-1-phenylpyrrolidine-3-carboxylic acid
Description:	1-Phenyl-2-oxo-3-pyrrolidinecarboxylic acid (CAS# 56137-52-1) is a useful research chemical.
Molecular Weight:	205.21
Molecular Formula:	C11H11NO3
Canonical SMILES:	C1CN(C(=O)C1C(=O)O)C2=CC=CC=C2
InChI:	InChI=1S/C11H11NO3/c13-10-9(11(14)15)6-7-12(10)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,14,15)
InChI Key:	KIXWRXJXMVUWCP-UHFFFAOYSA-N
Boiling Point:	494.6 °C at 760 mmHg
Density:	1.343 g/cm³
MDL:	MFCD01688147
LogP:	1.18910

Publication Number	Title	Priority Date
US-2020109148-A1	Cardiac sarcomere inhibitors	20180831
WO-2020047447-A1	Cardiac sarcomere inhibitors	20180831
TW-202023648-A	Cardiac sarcomere inhibitors	20180831
CN-112867539-A	Cardiac muscle segment inhibitor	20180831
KR-20210068422-A	cardiac eradication inhibitors	20180831

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, 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:	1
Isotope Atom Count:	0
Monoisotopic Mass:	205.07389321
Rotatable Bond Count:	2
Topological Polar Surface Area:	57.6 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7