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1161931-71-0 | 1-Pyrrolidinecarboxylic acid, 4-amino-2-(hydroxymethyl)-, 1,1-dimethylethyl ester, (2R,4R)-
CAS No: 1161931-71-0 Catalog No: AG000BUT MDL No:MFCD08704540
Product Description
Catalog Number:
AG000BUT
Chemical Name:
1-Pyrrolidinecarboxylic acid, 4-amino-2-(hydroxymethyl)-, 1,1-dimethylethyl ester, (2R,4R)-
CAS Number:
1161931-71-0
Molecular Formula:
C10H20N2O3
Molecular Weight:
216.2774
MDL Number:
MFCD08704540
IUPAC Name:
tert-butyl (2R,4R)-4-amino-2-(hydroxymethyl)pyrrolidine-1-carboxylate;hydrochloride
InChI:
InChI=1S/C10H20N2O3.ClH/c1-10(2,3)15-9(14)12-5-7(11)4-8(12)6-13;/h7-8,13H,4-6,11H2,1-3H3;1H/t7-,8-;/m1./s1
InChI Key:
CBLODQXSQDSMHU-SCLLHFNJSA-N
SMILES:
OC[C@H]1C[C@H](CN1C(=O)OC(C)(C)C)N
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
252.124g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
252.739g/mol
Monoisotopic Mass:
252.124g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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