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99952-45-1 | TERT-BUTYLOXYCARBONYL-ALANYL-PROLINAL
CAS No: 99952-45-1 Catalog No: AG003VL5 MDL No:
Product Description
Catalog Number:
AG003VL5
Chemical Name:
TERT-BUTYLOXYCARBONYL-ALANYL-PROLINAL
CAS Number:
99952-45-1
Molecular Formula:
C13H22N2O4
Molecular Weight:
270.3248
IUPAC Name:
tert-butyl N-[(2S)-1-[(2S)-2-formylpyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate
InChI:
InChI=1S/C13H22N2O4/c1-9(14-12(18)19-13(2,3)4)11(17)15-7-5-6-10(15)8-16/h8-10H,5-7H2,1-4H3,(H,14,18)/t9-,10-/m0/s1
InChI Key:
MHCFMRIMHHAGFY-UWVGGRQHSA-N
SMILES:
O=C[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
270.158g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.329g/mol
Monoisotopic Mass:
270.158g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
75.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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