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1378388-35-2 | 1,2,4-Pyrrolidinetricarboxylic acid, 1-(1,1-dimethylethyl) 2-methyl ester, (2S,4S)-
CAS No: 1378388-35-2 Catalog No: AG0013XH MDL No:
Product Description
Catalog Number:
AG0013XH
Chemical Name:
1,2,4-Pyrrolidinetricarboxylic acid, 1-(1,1-dimethylethyl) 2-methyl ester, (2S,4S)-
CAS Number:
1378388-35-2
Molecular Formula:
C12H18NO6-
Molecular Weight:
272.2744
IUPAC Name:
(3S,5S)-5-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C12H19NO6/c1-12(2,3)19-11(17)13-6-7(9(14)15)5-8(13)10(16)18-4/h7-8H,5-6H2,1-4H3,(H,14,15)/t7-,8-/m0/s1
InChI Key:
HMHBAEDPNFIUEI-YUMQZZPRSA-N
SMILES:
COC(=O)[C@@H]1C[C@@H](CN1C(=O)OC(C)(C)C)C(=O)[O-]
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
273.121g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.285g/mol
Monoisotopic Mass:
273.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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