Home Aminos 3-{[benzyl(methyl)carbamoyl]amino}propanoic acid

3-{[benzyl(methyl)carbamoyl]amino}propanoic acid

CAS No.:
1018300-35-0
Catalog Number:
AG01A9XP
Molecular Formula:
C12H16N2O3
Molecular Weight:
236.2670
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Product Description
Catalog Number:
AG01A9XP
Chemical Name:
3-{[benzyl(methyl)carbamoyl]amino}propanoic acid
CAS Number:
1018300-35-0
Molecular Formula:
C12H16N2O3
Molecular Weight:
236.2670
MDL Number:
MFCD10011914
IUPAC Name:
3-[[benzyl(methyl)carbamoyl]amino]propanoic acid
InChI:
InChI=1S/C12H16N2O3/c1-14(9-10-5-3-2-4-6-10)12(17)13-8-7-11(15)16/h2-6H,7-9H2,1H3,(H,13,17)(H,15,16)
InChI Key:
YRRJHZVYAZSBDH-UHFFFAOYSA-N
SMILES:
CN(C(=O)NCCC(=O)O)Cc1ccccc1
Properties
Complexity:
263  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
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:
2  
Isotope Atom Count:
0
Molecular Weight:
236.271g/mol
Monoisotopic Mass:
236.116g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties