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87691-27-8 | cis-1-(tert-Butoxycarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CAS No: 87691-27-8 Catalog No: AG003P04 MDL No:MFCD02094406
Product Description
Catalog Number:
AG003P04
Chemical Name:
cis-1-(tert-Butoxycarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CAS Number:
87691-27-8
Molecular Formula:
C10H17NO5
Molecular Weight:
231.2457
MDL Number:
MFCD02094406
IUPAC Name:
(2S,4S)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C10H17NO5/c1-10(2,3)16-9(15)11-5-6(12)4-7(11)8(13)14/h6-7,12H,4-5H2,1-3H3,(H,13,14)/t6-,7-/m0/s1
InChI Key:
BENKAPCDIOILGV-BQBZGAKWSA-N
SMILES:
O[C@@H]1CN([C@@H](C1)C(=O)O)C(=O)OC(C)(C)C
UNII:
H4YCJ0KW0U
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
231.111g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
231.248g/mol
Monoisotopic Mass:
231.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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