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1360547-46-1 | 3-Bocamino-2-oxo-pyrrolidine-3-carboxylic acid
CAS No: 1360547-46-1 Catalog No: AG01FA2Z MDL No:
Product Description
Catalog Number:
AG01FA2Z
Chemical Name:
3-Bocamino-2-oxo-pyrrolidine-3-carboxylic acid
CAS Number:
1360547-46-1
Molecular Formula:
C10H16N2O5
Molecular Weight:
244.2444
IUPAC Name:
3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C10H16N2O5/c1-9(2,3)17-8(16)12-10(7(14)15)4-5-11-6(10)13/h4-5H2,1-3H3,(H,11,13)(H,12,16)(H,14,15)
InChI Key:
JKZKJGNWYVGPFI-UHFFFAOYSA-N
SMILES:
O=C(NC1(CCNC1=O)C(=O)O)OC(C)(C)C
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.106g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
244.247g/mol
Monoisotopic Mass:
244.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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