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122536-66-7 | Carbamic acid, [1-methyl-2-oxo-2-(3-pyrrolidinylamino)ethyl]-, 1,1-dimethylethyl ester, [S-(R*,R*)]- (9CI)
CAS No: 122536-66-7 Catalog No: AG0017EX MDL No:
Product Description
Catalog Number:
AG0017EX
Chemical Name:
Carbamic acid, [1-methyl-2-oxo-2-(3-pyrrolidinylamino)ethyl]-, 1,1-dimethylethyl ester, [S-(R*,R*)]- (9CI)
CAS Number:
122536-66-7
Molecular Formula:
C12H23N3O3
Molecular Weight:
257.3293
IUPAC Name:
tert-butyl N-[1-oxo-1-(pyrrolidin-3-ylamino)propan-2-yl]carbamate
InChI:
InChI=1S/C12H23N3O3/c1-8(14-11(17)18-12(2,3)4)10(16)15-9-5-6-13-7-9/h8-9,13H,5-7H2,1-4H3,(H,14,17)(H,15,16)
InChI Key:
LUQCQTCJUWASKJ-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)N[C@H](C(=O)N[C@@H]1CNCC1)C
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.174g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
257.334g/mol
Monoisotopic Mass:
257.174g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
79.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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