tert-Butyl 2-(2-Pyrrolyl)acetate - CAS 157071-50-6

Catalog:	BB011289
Product Name:	tert-Butyl 2-(2-Pyrrolyl)acetate
CAS:	157071-50-6
Synonyms:	2-(1H-pyrrol-2-yl)acetic acid tert-butyl ester; tert-butyl 2-(1H-pyrrol-2-yl)acetate

Technical Data

Patents

Computed Properties

IUPAC Name:	tert-butyl 2-(1H-pyrrol-2-yl)acetate
Description:	tert-Butyl 2-(2-Pyrrolyl)acetate (CAS# 157071-50-6 ) is a useful research chemical.
Molecular Weight:	181.23
Molecular Formula:	C10H15NO2
Canonical SMILES:	CC(C)(C)OC(=O)CC1=CC=CN1
InChI:	InChI=1S/C10H15NO2/c1-10(2,3)13-9(12)7-8-5-4-6-11-8/h4-6,11H,7H2,1-3H3
InChI Key:	RVUDXGMATWSJLK-UHFFFAOYSA-N
LogP:	1.89890

Publication Number	Title	Priority Date
WO-2021115375-A1	Nitrogen-containing heterocyclic autotaxin inhibitor, and composition containing same and use thereof	20191211
CA-2481855-A1	Novel heteroaryl alkylamide derivatives useful as bradykinin receptor modulators	20020410
EP-1914236-A1	Novel heteroaryl alkylamide derivatives useful as bradykinin receptor modulators	20020410
US-2004192720-A1	Novel heteroaryl alkylamide derivatives useful as bradykinin receptor modulators	20020410
US-2005159443-A1	Novel heteroaryl alkylamide derivatives useful as bradykinin receptor modulators	20020410

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Related Functional Groups

Carbonyl Compounds

[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[17432-37-0]
2,3,5,6-Tetramethylbenzaldehyde
[108397-75-7]
2,4,6-Trimethylpyrimidine-5-carboxylic Acid

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Complexity:	184
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	181.110278721
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	181.110278721
Rotatable Bond Count:	4
Topological Polar Surface Area:	42.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5