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114559-25-0 | L-Alanine, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester, hydrochloride (1:1)
CAS No: 114559-25-0 Catalog No: AG000EO4 MDL No:MFCD00798684
Product Description
Catalog Number:
AG000EO4
Chemical Name:
L-Alanine, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester, hydrochloride (1:1)
CAS Number:
114559-25-0
Molecular Formula:
C9H19ClN2O4
Molecular Weight:
254.7112
MDL Number:
MFCD00798684
IUPAC Name:
methyl (2S)-2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;hydrochloride
InChI:
InChI=1S/C9H18N2O4.ClH/c1-9(2,3)15-8(13)11-5-6(10)7(12)14-4;/h6H,5,10H2,1-4H3,(H,11,13);1H/t6-;/m0./s1
InChI Key:
GDJLJNFNXINTHS-RGMNGODLSA-N
SMILES:
COC(=O)[C@H](CNC(=O)OC(C)(C)C)N.Cl
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
254.103g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
254.711g/mol
Monoisotopic Mass:
254.103g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
90.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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