200,000+ products from a single source!

sales@angenechem.com

Home > Carboxes > 175837-77-1

175837-77-1

175837-77-1 | 3-Oxazolidinecarboxylic acid, 4-(1H-indol-3-ylmethyl)-2,5-dioxo-, 1,1-dimethylethyl ester, (S)- (9CI)

CAS No: 175837-77-1 Catalog No: AG002180 MDL No:MFCD00273423

Product Description

Catalog Number:
AG002180
Chemical Name:
3-Oxazolidinecarboxylic acid, 4-(1H-indol-3-ylmethyl)-2,5-dioxo-, 1,1-dimethylethyl ester, (S)- (9CI)
CAS Number:
175837-77-1
Molecular Formula:
C17H18N2O5
Molecular Weight:
330.3352
MDL Number:
MFCD00273423
IUPAC Name:
tert-butyl (4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxo-1,3-oxazolidine-3-carboxylate
InChI:
InChI=1S/C17H18N2O5/c1-17(2,3)24-16(22)19-13(14(20)23-15(19)21)8-10-9-18-12-7-5-4-6-11(10)12/h4-7,9,13,18H,8H2,1-3H3/t13-/m0/s1
InChI Key:
WSFZLNNHQNYZNF-ZDUSSCGKSA-N
SMILES:
O=C1OC(=O)N([C@H]1Cc1c[nH]c2c1cccc2)C(=O)OC(C)(C)C

Properties

Complexity:
542  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
330.122g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
330.34g/mol
Monoisotopic Mass:
330.122g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
88.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  

© 2019 Angene International Limited. All rights Reserved.