Home Carbonyls 3-{[(benzyloxy)carbonyl]amino}-3-carbamoylpropanoic acid

3-{[(benzyloxy)carbonyl]amino}-3-carbamoylpropanoic acid

CAS No.:
64263-86-1
Catalog Number:
AG01AJXF
Molecular Formula:
C12H14N2O5
Molecular Weight:
266.2500
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Product Description
Catalog Number:
AG01AJXF
Chemical Name:
3-{[(benzyloxy)carbonyl]amino}-3-carbamoylpropanoic acid
CAS Number:
64263-86-1
Molecular Formula:
C12H14N2O5
Molecular Weight:
266.2500
MDL Number:
MFCD19686441
IUPAC Name:
4-amino-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid
InChI:
InChI=1S/C12H14N2O5/c13-11(17)9(6-10(15)16)14-12(18)19-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,13,17)(H,14,18)(H,15,16)
InChI Key:
AXOUDXRCOBYEFV-UHFFFAOYSA-N
SMILES:
O=C(NC(C(=O)N)CC(=O)O)OCc1ccccc1
NSC Number:
264085
Properties
Complexity:
339  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.09g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
266.253g/mol
Monoisotopic Mass:
266.09g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties