Home Carboxys (2S,4R)-1-[(tert-butoxy)carbonyl]-4-sulfanylpyrrolidine-2-carboxylic acid

(2S,4R)-1-[(tert-butoxy)carbonyl]-4-sulfanylpyrrolidine-2-carboxylic acid

CAS No.:
958879-77-1
Catalog Number:
AG00IL8N
Molecular Formula:
C10H17NO4S
Molecular Weight:
247.3113
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Product Description
Catalog Number:
AG00IL8N
Chemical Name:
(2S,4R)-1-[(tert-butoxy)carbonyl]-4-sulfanylpyrrolidine-2-carboxylic acid
CAS Number:
958879-77-1
Molecular Formula:
C10H17NO4S
Molecular Weight:
247.3113
IUPAC Name:
(2S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-sulfanylpyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C10H17NO4S/c1-10(2,3)15-9(14)11-5-6(16)4-7(11)8(12)13/h6-7,16H,4-5H2,1-3H3,(H,12,13)/t6-,7+/m1/s1
InChI Key:
CJGXPXFOEKLTEP-RQJHMYQMSA-N
SMILES:
S[C@@H]1C[C@H](N(C1)C(=O)OC(C)(C)C)C(=O)O
Properties
Complexity:
300  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
247.088g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
247.309g/mol
Monoisotopic Mass:
247.088g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties