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121470-62-0 | L-Norvaline, N-benzoyl-
CAS No: 121470-62-0 Catalog No: AG00150X MDL No:MFCD00190769
Product Description
Catalog Number:
AG00150X
Chemical Name:
L-Norvaline, N-benzoyl-
CAS Number:
121470-62-0
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
MDL Number:
MFCD00190769
IUPAC Name:
(2S)-2-benzamidopentanoic acid
InChI:
InChI=1S/C12H15NO3/c1-2-6-10(12(15)16)13-11(14)9-7-4-3-5-8-9/h3-5,7-8,10H,2,6H2,1H3,(H,13,14)(H,15,16)/t10-/m0/s1
InChI Key:
PZIVHOLHABBQKU-JTQLQIEISA-N
SMILES:
CCC[C@@H](C(=O)O)NC(=O)c1ccccc1
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
221.105g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
221.256g/mol
Monoisotopic Mass:
221.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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