Home Carbonyls Alanine, 3-cyano-N-[(1,1-dimethylethoxy)carbonyl]- (9CI)

Alanine, 3-cyano-N-[(1,1-dimethylethoxy)carbonyl]- (9CI)

CAS No.:
229028-67-5
Catalog Number:
AG00BKHV
Molecular Formula:
C9H14N2O4
Molecular Weight:
214.2185
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Product Description
Catalog Number:
AG00BKHV
Chemical Name:
Alanine, 3-cyano-N-[(1,1-dimethylethoxy)carbonyl]- (9CI)
CAS Number:
229028-67-5
Molecular Formula:
C9H14N2O4
Molecular Weight:
214.2185
MDL Number:
MFCD06656845
IUPAC Name:
3-cyano-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI:
InChI=1S/C9H14N2O4/c1-9(2,3)15-8(14)11-6(4-5-10)7(12)13/h6H,4H2,1-3H3,(H,11,14)(H,12,13)
InChI Key:
IVKMLPKBZQTAMQ-UHFFFAOYSA-N
SMILES:
N#CCC(C(=O)O)NC(=O)OC(C)(C)C
Properties
Complexity:
297  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.095g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
214.221g/mol
Monoisotopic Mass:
214.095g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
99.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties