Methyl 3-(2-Pyrrolyl)propionate - CAS 69917-80-2

Catalog:	BB034016
Product Name:	Methyl 3-(2-Pyrrolyl)propionate
CAS:	69917-80-2
Synonyms:	3-(1H-pyrrol-2-yl)propanoic acid methyl ester; methyl 3-(1H-pyrrol-2-yl)propanoate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 3-(1H-pyrrol-2-yl)propanoate
Description:	Methyl 3-(2-Pyrrolyl)propionate (CAS# 69917-80-2) is a compound useful in organic synthesis.
Molecular Weight:	153.18
Molecular Formula:	C8H11NO2
Canonical SMILES:	COC(=O)CCC1=CC=CN1
InChI:	InChI=1S/C8H11NO2/c1-11-8(10)5-4-7-3-2-6-9-7/h2-3,6,9H,4-5H2,1H3
InChI Key:	UBOXXEGSGUIRAJ-UHFFFAOYSA-N
MDL:	MFCD09841003
LogP:	1.12030

Publication Number	Title	Priority Date
KR-20210106496-A	conjugate	20181218
US-2020072711-A1	Fluorescent endoplasmic reticulum trackers for live cell imaging of pathogenic yeast	20180828
US-2020345862-A1	Transition metal-based functional moieties for preparing cell targeting conjugates	20171219
US-2021113712-A1	Methods for preparing cell targeting conjugates and conjugates obtainable by said methods	20171219
US-2019210960-A1	Ketone inhibitors of lysine gingipain	20160916

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Complexity:	136
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	153.078978594
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	153.078978594
Rotatable Bond Count:	4
Topological Polar Surface Area:	42.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8