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115655-41-9 | 1,4-Piperidinedicarboxylic acid, 4-amino-, 1-(phenylmethyl) ester
CAS No: 115655-41-9 Catalog No: AG000GPD MDL No:MFCD03425218
Product Description
Catalog Number:
AG000GPD
Chemical Name:
1,4-Piperidinedicarboxylic acid, 4-amino-, 1-(phenylmethyl) ester
CAS Number:
115655-41-9
Molecular Formula:
C14H17N2O4-
Molecular Weight:
277.2958
MDL Number:
MFCD03425218
IUPAC Name:
4-amino-1-phenylmethoxycarbonylpiperidine-4-carboxylic acid
InChI:
InChI=1S/C14H18N2O4/c15-14(12(17)18)6-8-16(9-7-14)13(19)20-10-11-4-2-1-3-5-11/h1-5H,6-10,15H2,(H,17,18)
InChI Key:
IGBNRWWMKJGMLH-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)(N)C(=O)[O-])OCc1ccccc1
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.127g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
278.308g/mol
Monoisotopic Mass:
278.127g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
92.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.7
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