Home Other Building Blocks (2S)-2-(phenylformamido)butanoic acid

(2S)-2-(phenylformamido)butanoic acid

CAS No.:
87068-75-5
Catalog Number:
AG01A65N
Molecular Formula:
C11H13NO3
Molecular Weight:
207.2258
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Product Description
Catalog Number:
AG01A65N
Chemical Name:
(2S)-2-(phenylformamido)butanoic acid
CAS Number:
87068-75-5
Molecular Formula:
C11H13NO3
Molecular Weight:
207.2258
MDL Number:
MFCD24141807
IUPAC Name:
2-benzamidobutanoic acid
InChI:
InChI=1S/C11H13NO3/c1-2-9(11(14)15)12-10(13)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,12,13)(H,14,15)
InChI Key:
OACIMSFRSUBGQU-UHFFFAOYSA-N
SMILES:
CC[C@@H](C(=O)O)NC(=O)c1ccccc1
Properties
Complexity:
234  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.09g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
207.229g/mol
Monoisotopic Mass:
207.09g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties