Home Carbonyls Valine, N-[(phenylamino)carbonyl]-

Valine, N-[(phenylamino)carbonyl]-

CAS No.:
827612-15-7
Catalog Number:
AG008IPC
Molecular Formula:
C12H16N2O3
Molecular Weight:
236.2670
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Product Description
Catalog Number:
AG008IPC
Chemical Name:
Valine, N-[(phenylamino)carbonyl]-
CAS Number:
827612-15-7
Molecular Formula:
C12H16N2O3
Molecular Weight:
236.2670
MDL Number:
MFCD00483843
IUPAC Name:
(2S)-3-methyl-2-(phenylcarbamoylamino)butanoic acid
InChI:
InChI=1S/C12H16N2O3/c1-8(2)10(11(15)16)14-12(17)13-9-6-4-3-5-7-9/h3-8,10H,1-2H3,(H,15,16)(H2,13,14,17)/t10-/m0/s1
InChI Key:
IIJAEFRNONKHQP-JTQLQIEISA-N
SMILES:
CC([C@@H](C(=O)O)NC(=O)Nc1ccccc1)C
Properties
Complexity:
273  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
236.116g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
236.271g/mol
Monoisotopic Mass:
236.116g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties