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4125-93-3 | L-Aspartic acid 1-tert-butyl ester
CAS No: 4125-93-3 Catalog No: AG0039NQ MDL No:MFCD00171675
Product Description
Catalog Number:
AG0039NQ
Chemical Name:
L-Aspartic acid 1-tert-butyl ester
CAS Number:
4125-93-3
Molecular Formula:
C8H15NO4
Molecular Weight:
189.2090
MDL Number:
MFCD00171675
IUPAC Name:
(3S)-3-amino-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
InChI:
InChI=1S/C8H15NO4/c1-8(2,3)13-7(12)5(9)4-6(10)11/h5H,4,9H2,1-3H3,(H,10,11)/t5-/m0/s1
InChI Key:
PUWCNJZIFKBDJQ-YFKPBYRVSA-N
SMILES:
N[C@H](C(=O)OC(C)(C)C)CC(=O)O
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
189.1g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
189.211g/mol
Monoisotopic Mass:
189.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
89.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.6
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