Ethyl Pyrrolidine-3-carboxylate - CAS 72925-15-6

Catalog:	BB034726
Product Name:	Ethyl Pyrrolidine-3-carboxylate
CAS:	72925-15-6
Synonyms:	3-pyrrolidinecarboxylic acid ethyl ester; ethyl pyrrolidine-3-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	ethyl pyrrolidine-3-carboxylate
Description:	Ethyl Pyrrolidine-3-carboxylate (CAS# 72925-15-6) is used to prepare inhibitors of γ-aminobutyric acid transporter 1.
Molecular Weight:	143.18
Molecular Formula:	C7H13NO2
Canonical SMILES:	CCOC(=O)C1CCNC1
InChI:	InChI=1S/C7H13NO2/c1-2-10-7(9)6-3-4-8-5-6/h6,8H,2-5H2,1H3
InChI Key:	MPEUOPWWEODARH-UHFFFAOYSA-N
Boiling Point:	191.3 °C at 760 mmHg
Density:	1.031 g/cm³
LogP:	0.48780

Publication Number	Title	Priority Date
CN-113248492-A	Heterocycle substituted nitrogen-containing six-membered heterocycle derivative, preparation method and medical application thereof	20200210
WO-2020033669-A1	Antagonists of t2r54 and compositions and uses thereof	20180810
EP-3806661-A1	Antagonists of t2r54 and compositions and uses thereof	20180810
CN-113164445-A	Adjuvant effect of the TLR1/2 agonist diprocomim synergistically potentiates checkpoint inhibitory antibodies to eliminate disease	20180802
TW-202016106-A	Novel isoxazolate derivatives as GABA-AÎ±5 forward ectopic regulator (PAM)	20180613

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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, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	125
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	143.094628657
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	143.094628657
Rotatable Bond Count:	3
Topological Polar Surface Area:	38.3 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2