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UR-144 N-Pentanoic Acid

CAT: 0572-TRC-U800500-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-U800500-25MGSize:25 mg
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CAS Number
1451369-33-7
Synonyms
1H-Indole-1-pentanoic acid, 3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-; 3-[(2,2,3,3-Tetramethylcyclopropyl)carbonyl]-1H-indole-1-pentanoic acid; UR 144 N-pentanoic acid metabolite; [1-(4-Carboxybutyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone; UR-144 N-Pentanoic Acid; XLR-11 N-pentanoic acid metabolite
Hazard Statement
Harmful if swallowed
Smiles
CC1(C)C(C(=O)c2cn(CCCCC(=O)O)c3ccccc23)C1(C)C
Molecular Formula
C21 H27 N O3
Molecular Weight
341.444
InChI
InChI=1S/C21H27NO3/c1-20(2)19(21(20,3)4)18(25)15-13-22(12-8-7-11-17(23)24)16-10-6-5-9-14(15)16/h5-6,9-10,13,19H,7-8,11-12H2,1-4H3,(H,23,24)
Shipping Conditions
Room Temperature

Chemical Information

UR-144 N-pentanoic acid

1h-indole-1-pentanoic acid, 3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]- is an indolyl carboxylic acid.

CAS Number1451369-33-7
PubChem CID86268508
IUPAC Name5-[3-(2,2,3,3-tetramethylcyclopropanecarbonyl)indol-1-yl]pentanoic acid
Molecular FormulaC21H27NO3
Molecular Weight341.4
XLogP4
Topological Polar Surface Area59.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Heavy Atom Count25
Formal Charge0
Complexity525
SMILES
CC1(C(C1(C)C)C(=O)C2=CN(C3=CC=CC=C32)CCCCC(=O)O)C
InChI
InChI=1S/C21H27NO3/c1-20(2)19(21(20,3)4)18(25)15-13-22(12-8-7-11-17(23)24)16-10-6-5-9-14(15)16/h5-6,9-10,13,19H,7-8,11-12H2,1-4H3,(H,23,24)
InChIKey
UUTHIAPDCFFQKQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of UR-144 N-pentanoic acid
CAS: 1451369-33-7
CID: 86268508
Formula: C21H27NO3
MW: 341.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight341.4
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass341.19909372
Monoisotopic Mass341.19909372
Topological Polar Surface Area59.3 Ų
Heavy Atom Count25
Formal Charge0
Complexity525
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
BIC36933-01Ur-144 N-pentanoic acid metabolite
MBS376028-01UR-144 N-Pentanoic Acid ELISA Standard
167027UR-144 N- (5-Hydroxypentyl)
165141N- (5-Bromopentyl-d10) UR-144
MLC88904-01Ur-144 N- (4-hydroxypentyl) metabolite
167029UR-144 N- (5-Hydroxypentyl) -d10
DQC69026-01N- (5-Bromopentyl) ur-144-d5
VKB15595-01Ur-144 N- (5-hydroxypentyl) metabolite
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sc-473817UR-144 N- (5-Hydroxypentyl) β-D-Glucuronide

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