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939761-40-7 | 4-TERT-BUTOXYCARBONYLAMINO-1-CYCLOPENTYLMETHYL-PIPERIDINE-4-CARBOXYLIC ACID 1HCL SALT
CAS No: 939761-40-7 Catalog No: AG003M1B MDL No:
Product Description
Catalog Number:
AG003M1B
Chemical Name:
4-TERT-BUTOXYCARBONYLAMINO-1-CYCLOPENTYLMETHYL-PIPERIDINE-4-CARBOXYLIC ACID 1HCL SALT
CAS Number:
939761-40-7
Molecular Formula:
C17H30N2O4
Molecular Weight:
326.4311
IUPAC Name:
1-(cyclopentylmethyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylic acid
InChI:
InChI=1S/C17H30N2O4/c1-16(2,3)23-15(22)18-17(14(20)21)8-10-19(11-9-17)12-13-6-4-5-7-13/h13H,4-12H2,1-3H3,(H,18,22)(H,20,21)
InChI Key:
ZFWSNDFPLYTRRH-UHFFFAOYSA-N
SMILES:
OC(=O)C1(CCN(CC1)CC1CCCC1)NC(=O)OC(C)(C)C
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.221g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
326.437g/mol
Monoisotopic Mass:
326.221g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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