Home Carboxys 5-(tert-butoxycarbonylamino)-1H-indole-2-carboxylic acid

5-(tert-butoxycarbonylamino)-1H-indole-2-carboxylic acid

CAS No.:
138730-81-1
Catalog Number:
AG009IP5
Molecular Formula:
C14H16N2O4
Molecular Weight:
276.2878
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Product Description
Catalog Number:
AG009IP5
Chemical Name:
5-(tert-butoxycarbonylamino)-1H-indole-2-carboxylic acid
CAS Number:
138730-81-1
Molecular Formula:
C14H16N2O4
Molecular Weight:
276.2878
MDL Number:
MFCD16658884
IUPAC Name:
5-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-indole-2-carboxylic acid
InChI:
InChI=1S/C14H16N2O4/c1-14(2,3)20-13(19)15-9-4-5-10-8(6-9)7-11(16-10)12(17)18/h4-7,16H,1-3H3,(H,15,19)(H,17,18)
InChI Key:
UMNXRJKQZFKDNR-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1ccc2c(c1)cc([nH]2)C(=O)O
Properties
Complexity:
391  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.111g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
276.292g/mol
Monoisotopic Mass:
276.111g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
91.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties