Home Carboxys (2S,4R)-1-(tert-Butoxycarbonyl)-4-(prop-2-yn-1-yl)pyrrolidine-2-carboxylic acid

(2S,4R)-1-(tert-Butoxycarbonyl)-4-(prop-2-yn-1-yl)pyrrolidine-2-carboxylic acid

CAS No.:
959581-98-7
Catalog Number:
AG00IJNG
Molecular Formula:
C13H19NO4
Molecular Weight:
253.2943
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25mg
≥ 98% (HPLC)
1 week
United States
$170
- +
100mg
≥ 98% (HPLC)
1 week
United States
$279
- +
250mg
≥ 98% (HPLC)
1 week
United States
$550
- +
Product Description
Catalog Number:
AG00IJNG
Chemical Name:
(2S,4R)-1-(tert-Butoxycarbonyl)-4-(prop-2-yn-1-yl)pyrrolidine-2-carboxylic acid
CAS Number:
959581-98-7
Molecular Formula:
C13H19NO4
Molecular Weight:
253.2943
MDL Number:
MFCD06659253
IUPAC Name:
(2S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-prop-2-ynylpyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C13H19NO4/c1-5-6-9-7-10(11(15)16)14(8-9)12(17)18-13(2,3)4/h1,9-10H,6-8H2,2-4H3,(H,15,16)/t9-,10+/m1/s1
InChI Key:
DMBBSZBBZZUEMF-ZJUUUORDSA-N
SMILES:
C#CC[C@@H]1C[C@H](N(C1)C(=O)OC(C)(C)C)C(=O)O
Properties
Complexity:
388  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
253.131g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
253.298g/mol
Monoisotopic Mass:
253.131g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties