Home Other Building Blocks 2-([(TERT-BUTOXY)CARBONYL]AMINO)-3-(1H-1,2,4-TRIAZOL-1-YL)PROPANOIC ACID

2-([(TERT-BUTOXY)CARBONYL]AMINO)-3-(1H-1,2,4-TRIAZOL-1-YL)PROPANOIC ACID

CAS No.:
1822548-43-5
Catalog Number:
AG01EKI2
Molecular Formula:
C10H16N4O4
Molecular Weight:
256.2584
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Product Description
Catalog Number:
AG01EKI2
Chemical Name:
2-([(TERT-BUTOXY)CARBONYL]AMINO)-3-(1H-1,2,4-TRIAZOL-1-YL)PROPANOIC ACID
CAS Number:
1822548-43-5
Molecular Formula:
C10H16N4O4
Molecular Weight:
256.2584
MDL Number:
MFCD24531779
IUPAC Name:
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1,2,4-triazol-1-yl)propanoic acid
InChI:
InChI=1S/C10H16N4O4/c1-10(2,3)18-9(17)13-7(8(15)16)4-14-6-11-5-12-14/h5-7H,4H2,1-3H3,(H,13,17)(H,15,16)
InChI Key:
QIHZXRJAHXMAAU-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC(C(=O)O)Cn1ncnc1
Properties
Complexity:
316  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.117g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
256.262g/mol
Monoisotopic Mass:
256.117g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties