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1279038-36-6 | D-Proline, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester, hydrochloride (1:1), (4R)-
CAS No: 1279038-36-6 Catalog No: AG000XJT MDL No:MFCD11042657
Product Description
Catalog Number:
AG000XJT
Chemical Name:
D-Proline, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester, hydrochloride (1:1), (4R)-
CAS Number:
1279038-36-6
Molecular Formula:
C11H21ClN2O4
Molecular Weight:
280.7484
MDL Number:
MFCD11042657
IUPAC Name:
methyl (2R,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-2-carboxylate;hydrochloride
InChI:
InChI=1S/C11H20N2O4.ClH/c1-11(2,3)17-10(15)13-7-5-8(12-6-7)9(14)16-4;/h7-8,12H,5-6H2,1-4H3,(H,13,15);1H/t7-,8-;/m1./s1
InChI Key:
KJYYJRIAHJXTNC-SCLLHFNJSA-N
SMILES:
COC(=O)[C@@H]1NC[C@@H](C1)NC(=O)OC(C)(C)C.Cl
Properties
Complexity:
298
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:
3
Isotope Atom Count:
0
Molecular Weight:
280.749g/mol
Monoisotopic Mass:
280.119g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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