3-(1H-Indol-3-yl)-4-methylpentanoic acid - CAS 878618-91-8

Catalog:	BB047684
Product Name:	3-(1H-Indol-3-yl)-4-methylpentanoic acid
CAS:	878618-91-8
Synonyms:	3-indol-3-yl-4-methylpentanoic acid; 3-(1H-Indol-3-yl)-4-methyl-pentanoic acid

Technical Data

Computed Properties

IUPAC Name:	3-(1H-indol-3-yl)-4-methylpentanoic acid
Description:	3-(1H-Indol-3-yl)-4-methylpentanoic acid (CAS# 878618-91-8 ) is a useful research chemical.
Molecular Weight:	231.29
Molecular Formula:	C14H17NO2
Canonical SMILES:	CC(C)C(CC(=O)O)C1=CNC2=CC=CC=C21
InChI:	InChI=1S/C14H17NO2/c1-9(2)11(7-14(16)17)12-8-15-13-6-4-3-5-10(12)13/h3-6,8-9,11,15H,7H2,1-2H3,(H,16,17)
InChI Key:	FHQYOYXBMOXDKF-UHFFFAOYSA-N

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Related Functional Groups

Carbonyl Compounds

[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[2168559-63-3]
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[59855-96-8]
2-(Methoxymethyl)thiazole-5-carboxylic Acid

Indoles

[2642-37-7]
Indoxyl sulfate potassium salt
[1375064-65-5]
Ethyl 3-Bromo-5-chloroindole-1-carboxylate
[1375064-48-4]
Ethyl 3-Bromo-5-fluoroindole-1-carboxylate
[1375064-59-7]
Ethyl 3-Bromoindole-1-carboxylate
[37033-95-7]
Ethyl 5-(benzyloxy)-1H-indole-2-carboxylate
[84639-06-5]
Ethyl 7-(benzyloxy)-1H-indole-2-carboxylate

Nitrogen Compounds

[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[514801-07-1]
3-[(4-Chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde
[862649-86-3]
3-[(4-Chlorophenyl)sulfonyl]-5-nitrophenol
[351-28-0]
3'-Fluoroacetanilide
[7492-88-8]
3-piperidinecarbonitrile

Oxygen Compounds

[544-62-7]
Batyl alcohol
[1263034-11-2]
[(2-Azido-3-hexadecoxypropoxy)-diphenylmethyl]benzene
[5333-45-9]
1,2,3,5-Tetramethoxybenzene
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[1183749-69-0]
2-(pyrimidin-2-yloxy)phenol
[5416-55-7]
2,2,6,6-Tetrakis(hydroxymethyl)cyclohexanol

Complexity:	277
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	231.125928785
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	231.125928785
Rotatable Bond Count:	4
Topological Polar Surface Area:	53.1
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	3.1