5-Quinolinepropanoic acid

CAT: 0127-OR1001447-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1001447-01Size:100 mg

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CAS Number

1541391-51-8

Purity

98%

Smiles

O=C(CCC1=CC=CC2=NC=CC=C21)O

Chemical Information

5-Quinolinepropanoic acid

CAS Number	1541391-51-8
PubChem CID	81224223
IUPAC Name	3-quinolin-5-ylpropanoic acid
Molecular Formula	C12H11NO2
Molecular Weight	201.22
XLogP	1.9
Topological Polar Surface Area	50.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	15
Formal Charge	0
Complexity	230

SMILES

C1=CC(=C2C=CC=NC2=C1)CCC(=O)O

InChI

InChI=1S/C12H11NO2/c14-12(15)7-6-9-3-1-5-11-10(9)4-2-8-13-11/h1-5,8H,6-7H2,(H,14,15)

InChIKey

ZYPNJYVATBRGFQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1541391-51-8

CID: 81224223

Formula: C12H11NO2

MW: 201.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	201.22
XLogP3	1.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	201.078978594
Monoisotopic Mass	201.078978594
Topological Polar Surface Area	50.2 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	230
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1041740	2-Quinolinepropanoic acid
OR1007671-01	A-[ (3-Chlorobenzoyl) amino]-1,2-dihydro-2-oxo-4-quinolinepropanoic acid
OR1034872-01	A-[ (2-Chlorobenzoyl) amino]-1,2-dihydro-2-oxo-4-quinolinepropanoic acid
PC4455-01	5,5,5-Trifluoropentanoic acid
OR1047289-01	5,5-Dimethylhexanoic acid
OR1011761-01	5,5-Thiodisalicylic Acid
OR1047164-01	5,5'-Oxydiisophthalic acid
OR1049742-01	5,5'-Sulfonyldiisophthalic acid
OR1074036-01	5,5'-Disulfanediyldipentanoic acid
OR1049407-01	5,5'-Thiodiisophthalic acid

Catalog	Name
JH919853	4-Quinolinepropanoic acid, α-[ (3,4-dichlorobenzoyl) amino]-1,2-dihydro-2-oxo-
sc-218532	(αS) -5-[ (Dimethylamino) sulfonyl]-α-[[ (9H-fluoren-9-ylmethoxy) carbonyl]amino]-8-hydroxy-2-quinolinepropanoic Acid
TRC-A609640-250MG	(alphaS)-5-[(Dimethylamino)sulfonyl]-alpha-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-8-hydroxy-2-quinolinepropanoic Acid
R1281-01	Rebamipide-d4 (a-[ (4-Chlorobenzoyl-d4) -amino]-1,2-dihydro-2-oxo-4-quinolinepropanoic Acid)
MBS6046901-01	Rebamipide-d4 (a-[(4-Chlorobenzoyl-d4)-amino]-1,2-dihydro-2-oxo-4-quinolinepropanoic Acid)
MBS6022370-01	Rebamipide (OPC-12759, Mucosta, a-[(4-Chlorobenzoyl)-amino]-1,2-dihydro-2-oxo-4-quinolinepropanoic Acid)
437116-01	5,5,5-Trifluorovaleric Acid
ZAA49980-01	5,5-Dimethylhexanoic acid
FT62679-01	5,5'-Thiodisalicylic Acid
CCA14621-01	5,5-Dimethylheptanoic acid