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132622-69-6 | 1,2-Pyrrolidinedicarboxylic acid, 4-amino-, 1-(1,1-dimethylethyl) ester, (2S,4R)-
CAS No: 132622-69-6 Catalog No: AG0010WY MDL No:MFCD05664215
Product Description
Catalog Number:
AG0010WY
Chemical Name:
1,2-Pyrrolidinedicarboxylic acid, 4-amino-, 1-(1,1-dimethylethyl) ester, (2S,4R)-
CAS Number:
132622-69-6
Molecular Formula:
C10H17N2O4-
Molecular Weight:
229.2530
MDL Number:
MFCD05664215
IUPAC Name:
(2S,4R)-4-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C10H18N2O4/c1-10(2,3)16-9(15)12-5-6(11)4-7(12)8(13)14/h6-7H,4-5,11H2,1-3H3,(H,13,14)/t6-,7+/m1/s1
InChI Key:
WDWRIVZIPSHUOR-RQJHMYQMSA-N
SMILES:
N[C@@H]1C[C@H](N(C1)C(=O)OC(C)(C)C)C(=O)[O-]
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
230.127g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
230.264g/mol
Monoisotopic Mass:
230.127g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.3
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