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1002359-89-8 | 1-Piperidinecarboxylic acid, 3-[[(aminocarbonyl)amino]methyl]-, 1,1-dimethylethyl ester, (3S)-
CAS No: 1002359-89-8 Catalog No: AG0001BC MDL No:
Product Description
Catalog Number:
AG0001BC
Chemical Name:
1-Piperidinecarboxylic acid, 3-[[(aminocarbonyl)amino]methyl]-, 1,1-dimethylethyl ester, (3S)-
CAS Number:
1002359-89-8
Molecular Formula:
C12H23N3O3
Molecular Weight:
257.3293
IUPAC Name:
tert-butyl (3S)-3-[(carbamoylamino)methyl]piperidine-1-carboxylate
InChI:
InChI=1S/C12H23N3O3/c1-12(2,3)18-11(17)15-6-4-5-9(8-15)7-14-10(13)16/h9H,4-8H2,1-3H3,(H3,13,14,16)/t9-/m0/s1
InChI Key:
CVWOFCRQESMJAZ-VIFPVBQESA-N
SMILES:
NC(=O)NC[C@@H]1CCCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
257.174g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
257.334g/mol
Monoisotopic Mass:
257.174g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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