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1217977-71-3 | L-Aspartic acid, 2-methyl-, 4-(1,1-dimethylethyl) ester
CAS No: 1217977-71-3 Catalog No: AG00161O MDL No:
Product Description
Catalog Number:
AG00161O
Chemical Name:
L-Aspartic acid, 2-methyl-, 4-(1,1-dimethylethyl) ester
CAS Number:
1217977-71-3
Molecular Formula:
C9H16NO4-
Molecular Weight:
202.2276
IUPAC Name:
(2S)-2-amino-2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
InChI:
InChI=1S/C9H17NO4/c1-8(2,3)14-6(11)5-9(4,10)7(12)13/h5,10H2,1-4H3,(H,12,13)/t9-/m0/s1
InChI Key:
VIQZVYPYYUPDQY-VIFPVBQESA-N
SMILES:
O=C(OC(C)(C)C)C[C@@](C(=O)[O-])(N)C
Properties
Complexity:
244
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:
5
Topological Polar Surface Area:
89.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.4
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