Home Carboxys 1,2-Pyrrolidinedicarboxylic acid, 4-(aminomethyl)-, 1-(1,1-dimethylethyl) ester, (2S,4R)-

1,2-Pyrrolidinedicarboxylic acid, 4-(aminomethyl)-, 1-(1,1-dimethylethyl) ester, (2S,4R)-

CAS No.:
132622-72-1
Catalog Number:
AG0010WW
Molecular Formula:
C11H19N2O4-
Molecular Weight:
243.2796
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Product Description
Catalog Number:
AG0010WW
Chemical Name:
1,2-Pyrrolidinedicarboxylic acid, 4-(aminomethyl)-, 1-(1,1-dimethylethyl) ester, (2S,4R)-
CAS Number:
132622-72-1
Molecular Formula:
C11H19N2O4-
Molecular Weight:
243.2796
IUPAC Name:
(2S,4R)-4-(aminomethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C11H20N2O4/c1-11(2,3)17-10(16)13-6-7(5-12)4-8(13)9(14)15/h7-8H,4-6,12H2,1-3H3,(H,14,15)/t7-,8+/m1/s1
InChI Key:
VWFCKAANOBELKO-SFYZADRCSA-N
SMILES:
NC[C@H]1C[C@H](N(C1)C(=O)OC(C)(C)C)C(=O)[O-]
Properties
Complexity:
311  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
244.142g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
244.291g/mol
Monoisotopic Mass:
244.142g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
92.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.1  
Properties