Home Carbonyls Butanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-methyl- (9CI)

Butanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-methyl- (9CI)

CAS No.:
388072-71-7
Catalog Number:
AG00CRMF
Molecular Formula:
C10H19NO4
Molecular Weight:
217.2622
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Product Description
Catalog Number:
AG00CRMF
Chemical Name:
Butanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-methyl- (9CI)
CAS Number:
388072-71-7
Molecular Formula:
C10H19NO4
Molecular Weight:
217.2622
MDL Number:
MFCD18827317
IUPAC Name:
2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
InChI:
InChI=1S/C10H19NO4/c1-6(8(12)13)7(2)11-9(14)15-10(3,4)5/h6-7H,1-5H3,(H,11,14)(H,12,13)
InChI Key:
VZHAMECIWIQGRU-UHFFFAOYSA-N
SMILES:
CC(C(C(=O)O)C)NC(=O)OC(C)(C)C
Properties
Complexity:
244  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.131g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
217.265g/mol
Monoisotopic Mass:
217.131g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties