Home Other Building Blocks 2-([(TERT-BUTOXY)CARBONYL]AMINO)-3-(6-CHLOROPYRIDIN-3-YL)PROPANOIC ACID

2-([(TERT-BUTOXY)CARBONYL]AMINO)-3-(6-CHLOROPYRIDIN-3-YL)PROPANOIC ACID

CAS No.:
1822342-26-6
Catalog Number:
AG01ELBL
Molecular Formula:
C13H17ClN2O4
Molecular Weight:
300.7381
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Product Description
Catalog Number:
AG01ELBL
Chemical Name:
2-([(TERT-BUTOXY)CARBONYL]AMINO)-3-(6-CHLOROPYRIDIN-3-YL)PROPANOIC ACID
CAS Number:
1822342-26-6
Molecular Formula:
C13H17ClN2O4
Molecular Weight:
300.7381
MDL Number:
MFCD24531798
IUPAC Name:
3-(6-chloropyridin-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI:
InChI=1S/C13H17ClN2O4/c1-13(2,3)20-12(19)16-9(11(17)18)6-8-4-5-10(14)15-7-8/h4-5,7,9H,6H2,1-3H3,(H,16,19)(H,17,18)
InChI Key:
ANKIRQAIQPGNLW-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC(C(=O)O)Cc1ccc(nc1)Cl
Properties
Complexity:
357  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.088g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
300.739g/mol
Monoisotopic Mass:
300.088g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
88.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties