Home Other Building Blocks 2-(2-Phenylacetamido)pentanedioic acid

2-(2-Phenylacetamido)pentanedioic acid

CAS No.:
2752-35-4
Catalog Number:
AG01FOV0
Molecular Formula:
C13H15NO5
Molecular Weight:
265.2619
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Product Description
Catalog Number:
AG01FOV0
Chemical Name:
2-(2-Phenylacetamido)pentanedioic acid
CAS Number:
2752-35-4
Molecular Formula:
C13H15NO5
Molecular Weight:
265.2619
MDL Number:
MFCD00437417
IUPAC Name:
2-[(2-phenylacetyl)amino]pentanedioic acid
InChI:
InChI=1S/C13H15NO5/c15-11(8-9-4-2-1-3-5-9)14-10(13(18)19)6-7-12(16)17/h1-5,10H,6-8H2,(H,14,15)(H,16,17)(H,18,19)
InChI Key:
PTSRBZOZSRJCKX-UHFFFAOYSA-N
SMILES:
O=C(Cc1ccccc1)NC(C(=O)O)CCC(=O)O
Properties
Complexity:
336  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.095g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
265.265g/mol
Monoisotopic Mass:
265.095g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties