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1262849-90-0 | 1,3-Pyrrolidinedicarboxylic acid, 4-amino-, 1-(1,1-dimethylethyl) 3-ethyl ester, hydrochloride (1:1), (3R,4S)-
CAS No: 1262849-90-0 Catalog No: AG000SGS MDL No:
Product Description
Catalog Number:
AG000SGS
Chemical Name:
1,3-Pyrrolidinedicarboxylic acid, 4-amino-, 1-(1,1-dimethylethyl) 3-ethyl ester, hydrochloride (1:1), (3R,4S)-
CAS Number:
1262849-90-0
Molecular Formula:
C12H23ClN2O4
Molecular Weight:
294.7750
IUPAC Name:
1-O-tert-butyl 3-O-ethyl (3R,4S)-4-aminopyrrolidine-1,3-dicarboxylate;hydrochloride
InChI:
InChI=1S/C12H22N2O4.ClH/c1-5-17-10(15)8-6-14(7-9(8)13)11(16)18-12(2,3)4;/h8-9H,5-7,13H2,1-4H3;1H/t8-,9-;/m1./s1
InChI Key:
HBFTTYWPCPPDIT-VTLYIQCISA-N
SMILES:
CCOC(=O)[C@@H]1CN(C[C@H]1N)C(=O)OC(C)(C)C.Cl
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
294.135g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
294.776g/mol
Monoisotopic Mass:
294.135g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
81.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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