Home Aminos 3-[(phenylcarbamoyl)amino]butanoic acid

3-[(phenylcarbamoyl)amino]butanoic acid

CAS No.:
6497-10-5
Catalog Number:
AG01AA00
Molecular Formula:
C11H14N2O3
Molecular Weight:
222.2405
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01AA00
Chemical Name:
3-[(phenylcarbamoyl)amino]butanoic acid
CAS Number:
6497-10-5
Molecular Formula:
C11H14N2O3
Molecular Weight:
222.2405
MDL Number:
MFCD02113868
IUPAC Name:
3-(phenylcarbamoylamino)butanoic acid
InChI:
InChI=1S/C11H14N2O3/c1-8(7-10(14)15)12-11(16)13-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,14,15)(H2,12,13,16)
InChI Key:
ALSCTJBRKVCRAF-UHFFFAOYSA-N
SMILES:
CC(CC(=O)O)NC(=O)Nc1ccccc1
Properties
Complexity:
250  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.1g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
222.244g/mol
Monoisotopic Mass:
222.1g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties