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886362-65-8 | 1-N-Cbz-Pyrrolidine-3-acetic acid
CAS No: 886362-65-8 Catalog No: AG004BGP MDL No:
Product Description
Catalog Number:
AG004BGP
Chemical Name:
1-N-Cbz-Pyrrolidine-3-acetic acid
CAS Number:
886362-65-8
Molecular Formula:
C14H17NO4
Molecular Weight:
263.2891
IUPAC Name:
2-(1-phenylmethoxycarbonylpyrrolidin-3-yl)acetic acid
InChI:
InChI=1S/C14H17NO4/c16-13(17)8-12-6-7-15(9-12)14(18)19-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,16,17)
InChI Key:
IUYVTLSEDKQGQY-UHFFFAOYSA-N
SMILES:
OC(=O)CC1CCN(C1)C(=O)OCc1ccccc1
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.116g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.293g/mol
Monoisotopic Mass:
263.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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