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1217835-98-7 | 1-Pyrrolidinecarboxylic acid, 3-(aminocarbonyl)-, phenylmethyl ester, (3R)-
CAS No: 1217835-98-7 Catalog No: AG00160R MDL No:MFCD09878793
Product Description
Catalog Number:
AG00160R
Chemical Name:
1-Pyrrolidinecarboxylic acid, 3-(aminocarbonyl)-, phenylmethyl ester, (3R)-
CAS Number:
1217835-98-7
Molecular Formula:
C13H16N2O3
Molecular Weight:
248.2777
MDL Number:
MFCD09878793
IUPAC Name:
benzyl (3R)-3-carbamoylpyrrolidine-1-carboxylate
InChI:
InChI=1S/C13H16N2O3/c14-12(16)11-6-7-15(8-11)13(17)18-9-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H2,14,16)/t11-/m1/s1
InChI Key:
RFMDNYSGEQPCAA-LLVKDONJSA-N
SMILES:
NC(=O)[C@@H]1CCN(C1)C(=O)OCc1ccccc1
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
248.116g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.282g/mol
Monoisotopic Mass:
248.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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