Home Carboxys 2S,3S-1-[(tert-butoxy)carbonyl]-2-methylpyrrolidine-3-carboxylic acid

2S,3S-1-[(tert-butoxy)carbonyl]-2-methylpyrrolidine-3-carboxylic acid

CAS No.:
664364-34-5
Catalog Number:
AG00IBLQ
Molecular Formula:
C11H19NO4
Molecular Weight:
229.2729
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Product Description
Catalog Number:
AG00IBLQ
Chemical Name:
2S,3S-1-[(tert-butoxy)carbonyl]-2-methylpyrrolidine-3-carboxylic acid
CAS Number:
664364-34-5
Molecular Formula:
C11H19NO4
Molecular Weight:
229.2729
MDL Number:
MFCD15071834
IUPAC Name:
(2S,3S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C11H19NO4/c1-7-8(9(13)14)5-6-12(7)10(15)16-11(2,3)4/h7-8H,5-6H2,1-4H3,(H,13,14)/t7-,8-/m0/s1
InChI Key:
WHYRSTZRPZXWFG-YUMQZZPRSA-N
SMILES:
C[C@@H]1N(CC[C@@H]1C(=O)O)C(=O)OC(C)(C)C
Properties
Complexity:
295  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
229.131g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
229.276g/mol
Monoisotopic Mass:
229.131g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties