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1384268-52-3 | D-Alanine, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-, ethyl ester, hydrochloride (1:1)
CAS No: 1384268-52-3 Catalog No: AG00194A MDL No:
Product Description
Catalog Number:
AG00194A
Chemical Name:
D-Alanine, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-, ethyl ester, hydrochloride (1:1)
CAS Number:
1384268-52-3
Molecular Formula:
C10H21ClN2O4
Molecular Weight:
268.7377
IUPAC Name:
ethyl (2R)-2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;hydrochloride
InChI:
InChI=1S/C10H20N2O4.ClH/c1-5-15-8(13)7(11)6-12-9(14)16-10(2,3)4;/h7H,5-6,11H2,1-4H3,(H,12,14);1H/t7-;/m1./s1
InChI Key:
DWFYPCOYLXRJIM-OGFXRTJISA-N
SMILES:
CCOC(=O)[C@@H](CNC(=O)OC(C)(C)C)N.Cl
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
268.119g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
268.738g/mol
Monoisotopic Mass:
268.119g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
90.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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