Name: Name:3-(2-carbamoylphenyl)propanoic acid
Brand: Angene
SKU: AG01BG9T
Rating: 90 (10 reviews)

3-(2-carbamoylphenyl)propanoic acid

CAS No.:

99060-39-6

Catalog Number:

AG01BG9T

Molecular Formula:

C10H11NO3

Molecular Weight:

193.1992

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Product Description

Catalog Number:

AG01BG9T

Chemical Name:

3-(2-carbamoylphenyl)propanoic acid

CAS Number:

99060-39-6

Molecular Formula:

C10H11NO3

Molecular Weight:

193.1992

MDL Number:

MFCD28383808

IUPAC Name:

3-(2-carbamoylphenyl)propanoic acid

InChI:

InChI=1S/C10H11NO3/c11-10(14)8-4-2-1-3-7(8)5-6-9(12)13/h1-4H,5-6H2,(H2,11,14)(H,12,13)

InChI Key:

NPFASVOXDYMQKM-UHFFFAOYSA-N

SMILES:

OC(=O)CCc1ccccc1C(=O)N

Properties

Complexity:

227

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

193.074g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

193.202g/mol

Monoisotopic Mass:

193.074g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

80.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.1

Literature

Title	Journal
3-(2-Aminocarbonylphenyl)propanoic acid analogs as potent and selective EP3 receptor antagonists. Part 3: Synthesis, metabolic stability, and biological evaluation of optically active analogs.	Bioorganic & medicinal chemistry 20100501
3-(2-Aminocarbonylphenyl)propanoic acid analogs as potent and selective EP3 receptor antagonists. part 2: optimization of the side chains to improve in vitro and in vivo potencies.	Bioorganic & medicinal chemistry 20100215
3-(2-Aminocarbonylphenyl)propanoic acid analogs as potent and selective EP3 receptor antagonists. Part 1: discovery and exploration of the carboxyamide side chain.	Bioorganic & medicinal chemistry 20100101