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197632-85-2 | L-Aspartic acid, N-methyl-, 4-(1,1-dimethylethyl) ester
CAS No: 197632-85-2 Catalog No: AG002AWV MDL No:MFCD00672353
Product Description
Catalog Number:
AG002AWV
Chemical Name:
L-Aspartic acid, N-methyl-, 4-(1,1-dimethylethyl) ester
CAS Number:
197632-85-2
Molecular Formula:
C9H16NO4-
Molecular Weight:
202.2276
MDL Number:
MFCD00672353
IUPAC Name:
(2S)-2-(methylamino)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
InChI:
InChI=1S/C9H17NO4/c1-9(2,3)14-7(11)5-6(10-4)8(12)13/h6,10H,5H2,1-4H3,(H,12,13)/t6-/m0/s1
InChI Key:
VVZMENGKDSBXFM-LURJTMIESA-N
SMILES:
CN[C@H](C(=O)[O-])CC(=O)OC(C)(C)C
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
203.116g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
203.238g/mol
Monoisotopic Mass:
203.116g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2
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