Home Carbonyls 2-{[(tert-butoxy)carbonyl]amino}-3-(1H-pyrazol-3-yl)propanoic acid

2-{[(tert-butoxy)carbonyl]amino}-3-(1H-pyrazol-3-yl)propanoic acid

CAS No.:
146985-51-5
Catalog Number:
AG01B75O
Molecular Formula:
C11H17N3O4
Molecular Weight:
255.2704
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Product Description
Catalog Number:
AG01B75O
Chemical Name:
2-{[(tert-butoxy)carbonyl]amino}-3-(1H-pyrazol-3-yl)propanoic acid
CAS Number:
146985-51-5
Molecular Formula:
C11H17N3O4
Molecular Weight:
255.2704
MDL Number:
MFCD19066193
IUPAC Name:
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1H-pyrazol-5-yl)propanoic acid
InChI:
InChI=1S/C11H17N3O4/c1-11(2,3)18-10(17)13-8(9(15)16)6-7-4-5-12-14-7/h4-5,8H,6H2,1-3H3,(H,12,14)(H,13,17)(H,15,16)
InChI Key:
UMXPSJKQFGBTLO-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC(C(=O)O)Cc1cc[nH]n1
Properties
Complexity:
314  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.122g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
255.274g/mol
Monoisotopic Mass:
255.122g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties