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1217446-43-9 | 1,2-Pyrrolidinedicarboxylic acid, 4-amino-, 1-(1,1-dimethylethyl) 2-methyl ester, hydrochloride (1:1), (2R,4S)-
CAS No: 1217446-43-9 Catalog No: AG0015P6 MDL No:MFCD10568359
Product Description
Catalog Number:
AG0015P6
Chemical Name:
1,2-Pyrrolidinedicarboxylic acid, 4-amino-, 1-(1,1-dimethylethyl) 2-methyl ester, hydrochloride (1:1), (2R,4S)-
CAS Number:
1217446-43-9
Molecular Formula:
C11H21ClN2O4
Molecular Weight:
280.7484
MDL Number:
MFCD10568359
IUPAC Name:
1-O-tert-butyl 2-O-methyl (2R,4S)-4-aminopyrrolidine-1,2-dicarboxylate;hydrochloride
InChI:
InChI=1S/C11H20N2O4.ClH/c1-11(2,3)17-10(15)13-6-7(12)5-8(13)9(14)16-4;/h7-8H,5-6,12H2,1-4H3;1H/t7-,8+;/m0./s1
InChI Key:
KFYCQKLSGMAVQH-KZYPOYLOSA-N
SMILES:
COC(=O)[C@H]1C[C@@H](CN1C(=O)OC(C)(C)C)N.Cl
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
280.119g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
280.749g/mol
Monoisotopic Mass:
280.119g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
81.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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