Home Carboxys 3-[1-({[(tert-butoxy)carbonyl]amino}methyl)cyclopropyl]-1,2-oxazole-4-carboxylic acid

3-[1-({[(tert-butoxy)carbonyl]amino}methyl)cyclopropyl]-1,2-oxazole-4-carboxylic acid

CAS No.:
2060008-85-5
Catalog Number:
AG01BWIF
Molecular Formula:
C13H18N2O5
Molecular Weight:
282.2924
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Product Description
Catalog Number:
AG01BWIF
Chemical Name:
3-[1-({[(tert-butoxy)carbonyl]amino}methyl)cyclopropyl]-1,2-oxazole-4-carboxylic acid
CAS Number:
2060008-85-5
Molecular Formula:
C13H18N2O5
Molecular Weight:
282.2924
MDL Number:
MFCD30477157
IUPAC Name:
3-[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopropyl]-1,2-oxazole-4-carboxylic acid
InChI:
InChI=1S/C13H18N2O5/c1-12(2,3)20-11(18)14-7-13(4-5-13)9-8(10(16)17)6-19-15-9/h6H,4-5,7H2,1-3H3,(H,14,18)(H,16,17)
InChI Key:
BKQLPZLEXLECHC-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCC1(CC1)c1nocc1C(=O)O
Properties
Complexity:
400  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.122g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
282.296g/mol
Monoisotopic Mass:
282.122g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties