Home Carbonyls 2-(4-{[(tert-butoxy)carbonyl]amino}-1H-pyrazol-1-yl)acetic acid

2-(4-{[(tert-butoxy)carbonyl]amino}-1H-pyrazol-1-yl)acetic acid

CAS No.:
1183336-63-1
Catalog Number:
AG01B5NC
Molecular Formula:
C10H15N3O4
Molecular Weight:
241.2438
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Product Description
Catalog Number:
AG01B5NC
Chemical Name:
2-(4-{[(tert-butoxy)carbonyl]amino}-1H-pyrazol-1-yl)acetic acid
CAS Number:
1183336-63-1
Molecular Formula:
C10H15N3O4
Molecular Weight:
241.2438
MDL Number:
MFCD12853440
IUPAC Name:
2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazol-1-yl]acetic acid
InChI:
InChI=1S/C10H15N3O4/c1-10(2,3)17-9(16)12-7-4-11-13(5-7)6-8(14)15/h4-5H,6H2,1-3H3,(H,12,16)(H,14,15)
InChI Key:
NYVHIOAJWYEHLO-UHFFFAOYSA-N
SMILES:
OC(=O)Cn1ncc(c1)NC(=O)OC(C)(C)C
Properties
Complexity:
300  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.106g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
241.247g/mol
Monoisotopic Mass:
241.106g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties