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203866-13-1 | 1,2-Pyrrolidinedicarboxylic acid, 4-fluoro-, 1-(1,1-dimethylethyl) ester, (2S,4S)-
CAS No: 203866-13-1 Catalog No: AG00295R MDL No:MFCD04973957
Product Description
Catalog Number:
AG00295R
Chemical Name:
1,2-Pyrrolidinedicarboxylic acid, 4-fluoro-, 1-(1,1-dimethylethyl) ester, (2S,4S)-
CAS Number:
203866-13-1
Molecular Formula:
C10H15FNO4-
Molecular Weight:
232.2288
MDL Number:
MFCD04973957
IUPAC Name:
(2S,4S)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C10H16FNO4/c1-10(2,3)16-9(15)12-5-6(11)4-7(12)8(13)14/h6-7H,4-5H2,1-3H3,(H,13,14)/t6-,7-/m0/s1
InChI Key:
YGWZXQOYEBWUTH-BQBZGAKWSA-N
SMILES:
F[C@H]1C[C@H](N(C1)C(=O)OC(C)(C)C)C(=O)[O-]
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
233.106g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.239g/mol
Monoisotopic Mass:
233.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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