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115186-37-3 | 1-Pyrrolidinecarboxylic acid, 2-[(methoxymethylamino)carbonyl]-, 1,1-dimethylethyl ester, (2S)-
CAS No: 115186-37-3 Catalog No: AG000GE6 MDL No:MFCD00209555
Product Description
Catalog Number:
AG000GE6
Chemical Name:
1-Pyrrolidinecarboxylic acid, 2-[(methoxymethylamino)carbonyl]-, 1,1-dimethylethyl ester, (2S)-
CAS Number:
115186-37-3
Molecular Formula:
C12H22N2O4
Molecular Weight:
258.3141
MDL Number:
MFCD00209555
IUPAC Name:
tert-butyl (2S)-2-[methoxy(methyl)carbamoyl]pyrrolidine-1-carboxylate
InChI:
InChI=1S/C12H22N2O4/c1-12(2,3)18-11(16)14-8-6-7-9(14)10(15)13(4)17-5/h9H,6-8H2,1-5H3/t9-/m0/s1
InChI Key:
KPVRHJIGNMLCHG-VIFPVBQESA-N
SMILES:
COCNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
258.158g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.318g/mol
Monoisotopic Mass:
258.158g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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