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1174020-29-1 | 1-Pyrrolidinecarboxylic acid, 3-amino-4-hydroxy-, 1,1-dimethylethyl ester, (3R,4S)-
CAS No: 1174020-29-1 Catalog No: AG000E8L MDL No:MFCD18072064
Product Description
Catalog Number:
AG000E8L
Chemical Name:
1-Pyrrolidinecarboxylic acid, 3-amino-4-hydroxy-, 1,1-dimethylethyl ester, (3R,4S)-
CAS Number:
1174020-29-1
Molecular Formula:
C9H18N2O3
Molecular Weight:
202.2508
MDL Number:
MFCD18072064
IUPAC Name:
tert-butyl (3R,4S)-3-amino-4-hydroxypyrrolidine-1-carboxylate
InChI:
InChI=1S/C9H18N2O3/c1-9(2,3)14-8(13)11-4-6(10)7(12)5-11/h6-7,12H,4-5,10H2,1-3H3/t6-,7+/m1/s1
InChI Key:
MOZOQDNRVPHFOO-RQJHMYQMSA-N
SMILES:
O[C@H]1CN(C[C@H]1N)C(=O)OC(C)(C)C
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
202.132g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
202.254g/mol
Monoisotopic Mass:
202.132g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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