Home Carboxys 8-{[(tert-butoxy)carbonyl]amino}-5-thiaspiro[3.5]nonane-2-carboxylic acid

8-{[(tert-butoxy)carbonyl]amino}-5-thiaspiro[3.5]nonane-2-carboxylic acid

CAS No.:
2137673-26-6
Catalog Number:
AG01EKZ9
Molecular Formula:
C14H23NO4S
Molecular Weight:
301.4017
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Product Description
Catalog Number:
AG01EKZ9
Chemical Name:
8-{[(tert-butoxy)carbonyl]amino}-5-thiaspiro[3.5]nonane-2-carboxylic acid
CAS Number:
2137673-26-6
Molecular Formula:
C14H23NO4S
Molecular Weight:
301.4017
MDL Number:
MFCD31457099
IUPAC Name:
8-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiaspiro[3.5]nonane-2-carboxylic acid
InChI:
InChI=1S/C14H23NO4S/c1-13(2,3)19-12(18)15-10-4-5-20-14(8-10)6-9(7-14)11(16)17/h9-10H,4-8H2,1-3H3,(H,15,18)(H,16,17)
InChI Key:
LIGPAFHWOYFJNV-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC1CCSC2(C1)CC(C2)C(=O)O
Properties
Complexity:
399  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.135g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
301.401g/mol
Monoisotopic Mass:
301.135g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties