3- (3-Indolyl) -2-methylpropionic acid

CAT: 0127-OR470258Size: 1 EachDry Ice: NoHazardous: No

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CAS Number

15142-91-3

MDL Number

MFCD01860840

Purity

=95%

Smiles

CC(Cc1c[nH]c2ccccc12)C(=O)O

Chemical Information

3-(1H-indol-3-yl)-2-methylpropanoic acid

CAS Number	15142-91-3
PubChem CID	2772042
IUPAC Name	3-(1H-indol-3-yl)-2-methylpropanoic acid
Molecular Formula	C12H13NO2
Molecular Weight	203.24
XLogP	2.6
Topological Polar Surface Area	53.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	15
Formal Charge	0
Complexity	242

SMILES

CC(CC1=CNC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C12H13NO2/c1-8(12(14)15)6-9-7-13-11-5-3-2-4-10(9)11/h2-5,7-8,13H,6H2,1H3,(H,14,15)

InChIKey

JDZNIWUNOASRIK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 15142-91-3

CID: 2772042

Formula: C12H13NO2

MW: 203.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	203.24
XLogP3	2.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	203.094628657
Monoisotopic Mass	203.094628657
Topological Polar Surface Area	53.1 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	242
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR921957	3-Bromo-2-methylpropionic acid
OR905022-01	2-Bromo-2-methylpropionic acid
OR919434-01	(R) - (-) -3-Hydroxy-2-methylpropionic acid methyl ester
OR1029145	2- (Dodecylthiocarbonothioylthio) -2-Methylpropionic Acid N-Hydroxysuccinimide Ester
BIB6080-01	3-Indolyl butyrate
OR91277-01	2- (4-Bromo-3-indolyl) acetonitrile
OR1042231-01	3- (3-Chlorophenyl) -2-methylpropanoic acid
PC201243-01	3,3,3-Trifluoro-2-methylpropanoic acid
OR1064190	3-Methoxy-2-methylpropanoic acid
OR15471	3- (Benzoylthio) -2-methylpropanoic acid

Catalog	Name
288658-01	3-Hydroxy-2-methylpropionic acid
TRC-B685620-25G	3-Bromo-2-methylpropionic Acid
TRC-A188775-500MG	3-Acetylthio-2-methylpropionic Acid
TRC-A188770-250MG	(S)-(-)-3-Acetylthio-2-methylpropionic Acid
278021-01	(R) -3- (Fmoc-amino) -2-methylpropionic acid
sc-472231	(S) -3- (Boc-amino) -2-methylpropionic acid
WAA38825-01	3-Methylamino-2-methylpropionic acid methyl ester
RCA73504-01	3- (4-tert-Butylphenyl) -2-methylpropionic acid
TRC-B116022-50MG	(2S)-3-Benzyloxy-2-methylpropionic Acid-D3
421882-01	(2R) -3-Bromo-2-hydroxy-2-methylpropionic Acid