Home Other Building Blocks 2-[(TERT-BUTOXY)CARBONYLAMINO]-3-INDOL-6-YLPROPANOIC ACID

2-[(TERT-BUTOXY)CARBONYLAMINO]-3-INDOL-6-YLPROPANOIC ACID

CAS No.:
1259973-23-3
Catalog Number:
AG01EKH5
Molecular Formula:
C16H20N2O4
Molecular Weight:
304.3410
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Product Description
Catalog Number:
AG01EKH5
Chemical Name:
2-[(TERT-BUTOXY)CARBONYLAMINO]-3-INDOL-6-YLPROPANOIC ACID
CAS Number:
1259973-23-3
Molecular Formula:
C16H20N2O4
Molecular Weight:
304.3410
MDL Number:
MFCD09916767
IUPAC Name:
3-(1H-indol-6-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI:
InChI=1S/C16H20N2O4/c1-16(2,3)22-15(21)18-13(14(19)20)9-10-4-5-11-6-7-17-12(11)8-10/h4-8,13,17H,9H2,1-3H3,(H,18,21)(H,19,20)
InChI Key:
HZDMRJOAWPIQPO-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC(C(=O)O)Cc1ccc2c(c1)[nH]cc2
Properties
Complexity:
419  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.142g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
304.346g/mol
Monoisotopic Mass:
304.142g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
91.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties