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1279034-86-4 | L-Proline, 4-[[(phenylmethoxy)carbonyl]amino]-, (4S)-
CAS No: 1279034-86-4 Catalog No: AG000XIU MDL No:
Product Description
Catalog Number:
AG000XIU
Chemical Name:
L-Proline, 4-[[(phenylmethoxy)carbonyl]amino]-, (4S)-
CAS Number:
1279034-86-4
Molecular Formula:
C13H16N2O4
Molecular Weight:
264.2771
IUPAC Name:
(2S,4S)-4-(phenylmethoxycarbonylamino)pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C13H16N2O4/c16-12(17)11-6-10(7-14-11)15-13(18)19-8-9-4-2-1-3-5-9/h1-5,10-11,14H,6-8H2,(H,15,18)(H,16,17)/t10-,11-/m0/s1
InChI Key:
VCZIKOUKWSDDIU-QWRGUYRKSA-N
SMILES:
O=C(N[C@@H]1CN[C@@H](C1)C(=O)O)OCc1ccccc1
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
264.111g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
264.281g/mol
Monoisotopic Mass:
264.111g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4
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