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116480-11-6 | Alanine, 3-(benzoylamino)-
CAS No: 116480-11-6 Catalog No: AG000CLD MDL No:
Product Description
Catalog Number:
AG000CLD
Chemical Name:
Alanine, 3-(benzoylamino)-
CAS Number:
116480-11-6
Molecular Formula:
C10H12N2O3
Molecular Weight:
208.2139
IUPAC Name:
2-amino-3-benzamidopropanoic acid
InChI:
InChI=1S/C10H12N2O3/c11-8(10(14)15)6-12-9(13)7-4-2-1-3-5-7/h1-5,8H,6,11H2,(H,12,13)(H,14,15)
InChI Key:
BMHTVISVLHMFTC-UHFFFAOYSA-N
SMILES:
N[C@H](C(=O)O)CNC(=O)c1ccccc1
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.085g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
208.217g/mol
Monoisotopic Mass:
208.085g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.4
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