Home Carbonyls (S)-2-((ethoxycarbonyl)amino)-3,3-dimethylbutanoic acid

(S)-2-((ethoxycarbonyl)amino)-3,3-dimethylbutanoic acid

CAS No.:
156990-58-8
Catalog Number:
AG01DJ7L
Molecular Formula:
C9H17NO4
Molecular Weight:
203.2356
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Product Description
Catalog Number:
AG01DJ7L
Chemical Name:
(S)-2-((ethoxycarbonyl)amino)-3,3-dimethylbutanoic acid
CAS Number:
156990-58-8
Molecular Formula:
C9H17NO4
Molecular Weight:
203.2356
MDL Number:
MFCD12796009
IUPAC Name:
2-(ethoxycarbonylamino)-3,3-dimethylbutanoic acid
InChI:
InChI=1S/C9H17NO4/c1-5-14-8(13)10-6(7(11)12)9(2,3)4/h6H,5H2,1-4H3,(H,10,13)(H,11,12)
InChI Key:
BGWONUWPOUBGIO-UHFFFAOYSA-N
SMILES:
CCOC(=O)N[C@@H](C(C)(C)C)C(=O)O
Properties
Complexity:
219  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.116g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
203.238g/mol
Monoisotopic Mass:
203.116g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties