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Home > Indoles and Oxindole > 878618-91-8
878618-91-8 | 3-(1H-indol-3-yl)-4-methylpentanoic acid
CAS No: 878618-91-8 Catalog No: AG00JFE6 MDL No:MFCD07788367
Product Description
Catalog Number:
AG00JFE6
Chemical Name:
3-(1H-indol-3-yl)-4-methylpentanoic acid
CAS Number:
878618-91-8
Molecular Formula:
C14H17NO2
Molecular Weight:
231.2903
MDL Number:
MFCD07788367
IUPAC Name:
3-(1H-indol-3-yl)-4-methylpentanoic acid
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
SMILES:
OC(=O)CC(c1c[nH]c2c1cccc2)C(C)C
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.126g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
231.295g/mol
Monoisotopic Mass:
231.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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