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Home Other Building Blocks N-4-Quinazolinylnorvaline

N-4-Quinazolinylnorvaline

CAS No.:
1008675-41-9
Catalog Number:
AG00031L
Molecular Formula:
C13H15N3O2
Molecular Weight:
245.2771
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$96
- +
5g
95%
In Stock USA
United States
$216
- +
Product Description
Catalog Number:
AG00031L
Chemical Name:
N-4-Quinazolinylnorvaline
CAS Number:
1008675-41-9
Molecular Formula:
C13H15N3O2
Molecular Weight:
245.2771
MDL Number:
MFCD04064782
IUPAC Name:
2-(quinazolin-4-ylamino)pentanoic acid
InChI:
InChI=1S/C13H15N3O2/c1-2-5-11(13(17)18)16-12-9-6-3-4-7-10(9)14-8-15-12/h3-4,6-8,11H,2,5H2,1H3,(H,17,18)(H,14,15,16)
InChI Key:
QNGCVTKJHOBMQR-UHFFFAOYSA-N
SMILES:
CCC[C@@H](C(=O)O)Nc1ncnc2c1cccc2
Properties
Complexity:
285  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.116g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
245.282g/mol
Monoisotopic Mass:
245.116g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
75.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties