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122536-72-5 | 1-Pyrrolidinecarboxylic acid, 3-amino-, phenylmethyl ester, (3S)-
CAS No: 122536-72-5 Catalog No: AG0017EW MDL No:MFCD07772074
Product Description
Catalog Number:
AG0017EW
Chemical Name:
1-Pyrrolidinecarboxylic acid, 3-amino-, phenylmethyl ester, (3S)-
CAS Number:
122536-72-5
Molecular Formula:
C12H16N2O2
Molecular Weight:
220.2676
MDL Number:
MFCD07772074
IUPAC Name:
benzyl (3S)-3-aminopyrrolidine-1-carboxylate
InChI:
InChI=1S/C12H16N2O2/c13-11-6-7-14(8-11)12(15)16-9-10-4-2-1-3-5-10/h1-5,11H,6-9,13H2/t11-/m0/s1
InChI Key:
FPXJNSKAXZNWMQ-NSHDSACASA-N
SMILES:
N[C@H]1CCN(C1)C(=O)OCc1ccccc1
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
220.121g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.272g/mol
Monoisotopic Mass:
220.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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