Home Carbonyls benzyl (2R)-2-{[(tert-butoxy)carbonyl]amino}-3-carbamoylpropanoate

benzyl (2R)-2-{[(tert-butoxy)carbonyl]amino}-3-carbamoylpropanoate

CAS No.:
130539-03-6
Catalog Number:
AG01AGJE
Molecular Formula:
C16H22N2O5
Molecular Weight:
322.3563
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Product Description
Catalog Number:
AG01AGJE
Chemical Name:
benzyl (2R)-2-{[(tert-butoxy)carbonyl]amino}-3-carbamoylpropanoate
CAS Number:
130539-03-6
Molecular Formula:
C16H22N2O5
Molecular Weight:
322.3563
MDL Number:
MFCD18089443
IUPAC Name:
benzyl 4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate
InChI:
InChI=1S/C16H22N2O5/c1-16(2,3)23-15(21)18-12(9-13(17)19)14(20)22-10-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H2,17,19)(H,18,21)
InChI Key:
VNFPRPGXGYMAKL-UHFFFAOYSA-N
SMILES:
NC(=O)C[C@H](C(=O)OCc1ccccc1)NC(=O)OC(C)(C)C
Properties
Complexity:
425  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.153g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
322.361g/mol
Monoisotopic Mass:
322.153g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties