Home Carbonyls Propanoic acid, 2-[[[(1,1-dimethylethoxy)carbonyl]amino]oxy]-, (2S)- (9CI)

Propanoic acid, 2-[[[(1,1-dimethylethoxy)carbonyl]amino]oxy]-, (2S)- (9CI)

CAS No.:
42989-92-4
Catalog Number:
AG00CIAJ
Molecular Formula:
C8H15NO5
Molecular Weight:
205.2084
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Product Description
Catalog Number:
AG00CIAJ
Chemical Name:
Propanoic acid, 2-[[[(1,1-dimethylethoxy)carbonyl]amino]oxy]-, (2S)- (9CI)
CAS Number:
42989-92-4
Molecular Formula:
C8H15NO5
Molecular Weight:
205.2084
MDL Number:
MFCD18835657
IUPAC Name:
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]oxypropanoic acid
InChI:
InChI=1S/C8H15NO5/c1-5(6(10)11)14-9-7(12)13-8(2,3)4/h5H,1-4H3,(H,9,12)(H,10,11)/t5-/m0/s1
InChI Key:
NRYLENBEAWHHMU-YFKPBYRVSA-N
SMILES:
C[C@@H](C(=O)O)ONC(=O)OC(C)(C)C
Properties
Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
205.095g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
205.21g/mol
Monoisotopic Mass:
205.095g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties