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885275-32-1 | 2-(4-(tert-Butoxycarbonyl)piperazin-1-yl)-2-(1H-indol-2-yl)acetic acid
CAS No: 885275-32-1 Catalog No: AG0046CC MDL No:MFCD04115142
Product Description
Catalog Number:
AG0046CC
Chemical Name:
2-(4-(tert-Butoxycarbonyl)piperazin-1-yl)-2-(1H-indol-2-yl)acetic acid
CAS Number:
885275-32-1
Molecular Formula:
C19H25N3O4
Molecular Weight:
359.4195
MDL Number:
MFCD04115142
IUPAC Name:
2-(1H-indol-2-yl)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid
InChI:
InChI=1S/C19H25N3O4/c1-19(2,3)26-18(25)22-10-8-21(9-11-22)16(17(23)24)15-12-13-6-4-5-7-14(13)20-15/h4-7,12,16,20H,8-11H2,1-3H3,(H,23,24)
InChI Key:
ZRJSPTUYBOUQOZ-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)C(c1cc2c([nH]1)cccc2)C(=O)O)OC(C)(C)C
Properties
Complexity:
525
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.185g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
359.426g/mol
Monoisotopic Mass:
359.185g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
85.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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