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113969-20-3 | Butanoic acid, 4-amino-2-(benzoylamino)-, (S)- (9CI)
CAS No: 113969-20-3 Catalog No: AG000A78 MDL No:
Product Description
Catalog Number:
AG000A78
Chemical Name:
Butanoic acid, 4-amino-2-(benzoylamino)-, (S)- (9CI)
CAS Number:
113969-20-3
Molecular Formula:
C11H14N2O3
Molecular Weight:
222.2405
IUPAC Name:
(2S)-4-amino-2-benzamidobutanoic acid
InChI:
InChI=1S/C11H14N2O3/c12-7-6-9(11(15)16)13-10(14)8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,14)(H,15,16)/t9-/m0/s1
InChI Key:
FKRGKSPYUUOMRV-VIFPVBQESA-N
SMILES:
NCC[C@@H](C(=O)O)NC(=O)c1ccccc1
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
222.1g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
222.244g/mol
Monoisotopic Mass:
222.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2
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