Home Carbonyls 2-{[(tert-butoxy)carbonyl](methyl)amino}-4,4-dimethylpentanoic acid

2-{[(tert-butoxy)carbonyl](methyl)amino}-4,4-dimethylpentanoic acid

CAS No.:
1404754-06-8
Catalog Number:
AG01C12V
Molecular Formula:
C13H25NO4
Molecular Weight:
259.3419
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Product Description
Catalog Number:
AG01C12V
Chemical Name:
2-{[(tert-butoxy)carbonyl](methyl)amino}-4,4-dimethylpentanoic acid
CAS Number:
1404754-06-8
Molecular Formula:
C13H25NO4
Molecular Weight:
259.3419
MDL Number:
MFCD19401005
IUPAC Name:
4,4-dimethyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid
InChI:
InChI=1S/C13H25NO4/c1-12(2,3)8-9(10(15)16)14(7)11(17)18-13(4,5)6/h9H,8H2,1-7H3,(H,15,16)
InChI Key:
IPXPECOIMFVOLR-UHFFFAOYSA-N
SMILES:
O=C(N(C(C(=O)O)CC(C)(C)C)C)OC(C)(C)C
Properties
Complexity:
312  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.178g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
259.346g/mol
Monoisotopic Mass:
259.178g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties